P612-0421 Screening compound: 2-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

P612-0421 Screening compound: 2-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
P612-0421 Screening compound: 2-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P612-0421
2-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

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

P612-0421

Molecular Formula

C20H20N4O2S (C20 H20 N4 O2 S)

Compound Name

2-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,3-thiazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

IUPAC name

2-(2-{1-ethyl-1H-pyrrolo[23-b]pyridin-3-yl}-13-thiazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

SMILES

CCn1c(nccc2)c2c(-c2nc(CC(NCc3ccc(C)o3)=O)cs2)c1

InChI

InChI=1S/C20H20N4O2S/c1-3-24-11-17(16-5-4-8-21-19(16)24)20-23-14(12-27-20)9-18(25)22-10-15-7-6-13(2)26-15/h4-8,11-12H,3,9-10H2,1-2H3,(H,22,25)

InChI Key

VCUSVBNWIJOCIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.430

Distribution Coefficient, logD

3.427

Water Solubility, LogSw

-3.51

Polar Surface Area

53.566

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P612-0421 in Drug Discovery

Included in Screening Libraries

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 P612-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P612-0421?
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What is the minimum amount of P612-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P612-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P612-0421
  • 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 P612-0421 available by request