P611-0612 Screening compound: N-benzyl-N,4-dimethyl-2-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide

P611-0612 Screening compound: N-benzyl-N,4-dimethyl-2-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide
P611-0612 Screening compound: N-benzyl-N,4-dimethyl-2-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P611-0612
N-benzyl-N,4-dimethyl-2-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-5-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

P611-0612

Molecular Formula

C23H24N4OS (C23 H24 N4 OS)

Compound Name

N-benzyl-N,4-dimethyl-2-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-5-carboxamide

IUPAC name

N-benzyl-N4-dimethyl-2-[1-(propan-2-yl)-1H-pyrrolo[23-b]pyridin-3-yl]-13-thiazole-5-carboxamide

SMILES

CC(C)n1c(nccc2)c2c(-c2nc(C)c(C(N(C)Cc3ccccc3)=O)s2)c1

InChI

InChI=1S/C23H24N4OS/c1-15(2)27-14-19(18-11-8-12-24-21(18)27)22-25-16(3)20(29-22)23(28)26(4)13-17-9-6-5-7-10-17/h5-12,14-15H,13H2,1-4H3

InChI Key

JPZRRNPJZGWMBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.543

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.26

Polar Surface Area

39.401

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

P611-0612 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 P611-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P611-0612?
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What is the minimum amount of P611-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P611-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P611-0612
  • 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 P611-0612 available by request