V021-2196 Screening compound: 3-bromo-4-[(2-methoxyphenyl)methyl]-N-phenyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

V021-2196 Screening compound: 3-bromo-4-[(2-methoxyphenyl)methyl]-N-phenyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
V021-2196 Screening compound: 3-bromo-4-[(2-methoxyphenyl)methyl]-N-phenyl-4H-thieno[3,2-b]pyrrole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2196
3-bromo-4-[(2-methoxyphenyl)methyl]-N-phenyl-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

V021-2196

Molecular Formula

C21H17BrN2O2S (C21 H17 BrN2 O2 S)

Compound Name

3-bromo-4-[(2-methoxyphenyl)methyl]-N-phenyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

IUPAC name

3-bromo-4-[(2-methoxyphenyl)methyl]-N-phenyl-4H-thieno[32-b]pyrrole-5-carboxamide

SMILES

COc1c(Cn(c(C(Nc2ccccc2)=O)c2)c3c2scc3Br)cccc1

InChI

InChI=1S/C21H17BrN2O2S/c1-26-18-10-6-5-7-14(18)12-24-17(11-19-20(24)16(22)13-27-19)21(25)23-15-8-3-2-4-9-15/h2-11,13H,12H2,1H3,(H,23,25)

InChI Key

DCKKLUAPSZJBTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19896963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.432

Distribution Coefficient, logD

5.432

Water Solubility, LogSw

-5.34

Polar Surface Area

32.208

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V021-2196 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 V021-2196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2196?
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What is the minimum amount of V021-2196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2196
  • 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 V021-2196 available by request