D130-0017 Screening compound: 2,3,5-trifluoro-N-(4-phenyl-1,3-thiazol-2-yl)-4-(pyrrolidin-1-yl)benzamide

D130-0017 Screening compound: 2,3,5-trifluoro-N-(4-phenyl-1,3-thiazol-2-yl)-4-(pyrrolidin-1-yl)benzamide
D130-0017 Screening compound: 2,3,5-trifluoro-N-(4-phenyl-1,3-thiazol-2-yl)-4-(pyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D130-0017
2,3,5-trifluoro-N-(4-phenyl-1,3-thiazol-2-yl)-4-(pyrrolidin-1-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

D130-0017

Molecular Formula

C20H16F3N3OS (C20 H16 F3 N3 OS)

Compound Name

2,3,5-trifluoro-N-(4-phenyl-1,3-thiazol-2-yl)-4-(pyrrolidin-1-yl)benzamide

IUPAC name

235-trifluoro-N-(4-phenyl-13-thiazol-2-yl)-4-(pyrrolidin-1-yl)benzamide

SMILES

O=C(c(cc(c(N1CCCC1)c1F)F)c1F)Nc1nc(-c2ccccc2)cs1

InChI

InChI=1S/C20H16F3N3OS/c21-14-10-13(16(22)17(23)18(14)26-8-4-5-9-26)19(27)25-20-24-15(11-28-20)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25,27)

InChI Key

MNQJTHUCXFYVKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.660

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-5.81

Polar Surface Area

36.321

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D130-0017 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SmartTM Library (51161 compounds)

Antibacterial Compounds Library (13827 compounds)

Epigenetics Focused Set (26518 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D130-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D130-0017?
Check Price and Availability of D130-0017, 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 D130-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D130-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D130-0017
  • 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 D130-0017 available by request