V031-1597 Screening compound: 2-methyl-4-(2-phenylethyl)-N-[(pyridin-2-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

V031-1597 Screening compound: 2-methyl-4-(2-phenylethyl)-N-[(pyridin-2-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
V031-1597 Screening compound: 2-methyl-4-(2-phenylethyl)-N-[(pyridin-2-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1597
2-methyl-4-(2-phenylethyl)-N-[(pyridin-2-yl)methyl]-4H-thieno[3,2-b]pyrrole-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

V031-1597

Molecular Formula

C22H21N3OS (C22 H21 N3 OS)

Compound Name

2-methyl-4-(2-phenylethyl)-N-[(pyridin-2-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

IUPAC name

2-methyl-4-(2-phenylethyl)-N-[(pyridin-2-yl)methyl]-4H-thieno[32-b]pyrrole-5-carboxamide

SMILES

Cc1cc(n(CCc2ccccc2)c(C(NCc2ncccc2)=O)c2)c2s1

InChI

InChI=1S/C22H21N3OS/c1-16-13-19-21(27-16)14-20(22(26)24-15-18-9-5-6-11-23-18)25(19)12-10-17-7-3-2-4-8-17/h2-9,11,13-14H,10,12,15H2,1H3,(H,24,26)

InChI Key

UGSZVXWACWYVAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19910983

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.526

Distribution Coefficient, logD

4.526

Water Solubility, LogSw

-4.29

Polar Surface Area

35.646

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

V031-1597 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V031-1597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1597?
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What is the minimum amount of V031-1597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1597
  • 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 V031-1597 available by request