D715-2045 Screening compound: 2-fluoro-N-[3-(4-methoxybenzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]benzamide

D715-2045 Screening compound: 2-fluoro-N-[3-(4-methoxybenzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]benzamide
D715-2045 Screening compound: 2-fluoro-N-[3-(4-methoxybenzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-2045
2-fluoro-N-[3-(4-methoxybenzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D715-2045

Molecular Formula

C23H23FN2O4S (C23 H23 FN2 O4 S)

Compound Name

2-fluoro-N-[3-(4-methoxybenzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]benzamide

IUPAC name

2-fluoro-N-[3-(4-methoxybenzenesulfonyl)-45-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]benzamide

SMILES

Cc1c(C)n(CC=C)c(NC(c(cccc2)c2F)=O)c1S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C23H23FN2O4S/c1-5-14-26-16(3)15(2)21(31(28,29)18-12-10-17(30-4)11-13-18)22(26)25-23(27)19-8-6-7-9-20(19)24/h5-13H,1,14H2,2-4H3,(H,25,27)

InChI Key

IJVCHOLYDVIHCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12204499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

3.505

Water Solubility, LogSw

-4.27

Polar Surface Area

61.994

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D715-2045 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Neuropeptide S Library (2850 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
Targets:
  • Others
  • GPCR
  • GPCR
  • Kinases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D715-2045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-2045?
Check Price and Availability of D715-2045, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D715-2045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-2045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-2045
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D715-2045 available by request