5782-5045 Screening compound: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-[3-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]benzamide

5782-5045 Screening compound: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-[3-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]benzamide
5782-5045 Screening compound: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-[3-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-5045
3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-[3-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]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

5782-5045

Molecular Formula

C25H25N3O (C25 H25 N3 O)

Compound Name

3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-[3-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]benzamide

IUPAC name

3-(25-dimethyl-1H-pyrrol-1-yl)-N-[3-(25-dimethyl-1H-pyrrol-1-yl)phenyl]benzamide

SMILES

Cc1ccc(C)n1-c1cccc(C(Nc2cc(-n3c(C)ccc3C)ccc2)=O)c1

InChI

InChI=1S/C25H25N3O/c1-17-11-12-18(2)27(17)23-9-5-7-21(15-23)25(29)26-22-8-6-10-24(16-22)28-19(3)13-14-20(28)4/h5-16H,1-4H3,(H,26,29)

InChI Key

ZWHRLZSNJHBOOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00591467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

4.966

Water Solubility, LogSw

-4.66

Polar Surface Area

29.107

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

5782-5045 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5782-5045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-5045?
Check Price and Availability of 5782-5045, 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 5782-5045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-5045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-5045
  • 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 5782-5045 available by request