P611-0385 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-5-carboxamide

P611-0385 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-5-carboxamide
P611-0385 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P611-0385
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-{1-methyl-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

P611-0385

Molecular Formula

C21H18N4O3S (C21 H18 N4 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazole-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-methyl-2-{1-methyl-1H-pyrrolo[23-b]pyridin-3-yl}-13-thiazole-5-carboxamide

SMILES

Cc1c(C(NCc(cc2)cc3c2OCO3)=O)sc(-c2cn(C)c3c2cccn3)n1

InChI

InChI=1S/C21H18N4O3S/c1-12-18(20(26)23-9-13-5-6-16-17(8-13)28-11-27-16)29-21(24-12)15-10-25(2)19-14(15)4-3-7-22-19/h3-8,10H,9,11H2,1-2H3,(H,23,26)

InChI Key

VVEXJNWLYMWCKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-3.33

Polar Surface Area

64.544

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

P611-0385 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS Targets (44014 compounds)

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P611-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P611-0385?
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What is the minimum amount of P611-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P611-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P611-0385
  • 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 P611-0385 available by request