P613-0534 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-carboxamide

P613-0534 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-carboxamide
P613-0534 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P613-0534
N-[(2-chloro-4-fluorophenyl)methyl]-2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-carboxamide

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

P613-0534

Molecular Formula

C20H16ClFN4OS (C20 H16 ClFN4 OS)

Compound Name

N-[(2-chloro-4-fluorophenyl)methyl]-2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-4-carboxamide

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-2-{1-ethyl-1H-pyrrolo[23-b]pyridin-3-yl}-13-thiazole-4-carboxamide

SMILES

CCn1c(nccc2)c2c(-c2nc(C(NCc(ccc(F)c3)c3Cl)=O)cs2)c1

InChI

InChI=1S/C20H16ClFN4OS/c1-2-26-10-15(14-4-3-7-23-18(14)26)20-25-17(11-28-20)19(27)24-9-12-5-6-13(22)8-16(12)21/h3-8,10-11H,2,9H2,1H3,(H,24,27)

InChI Key

OGIQAYNEPNJKDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.560

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.62

Polar Surface Area

46.021

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

P613-0534 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with P613-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P613-0534?
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What is the minimum amount of P613-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P613-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P613-0534
  • 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 P613-0534 available by request