V024-4071 Screening compound: 3-bromo-4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

V024-4071 Screening compound: 3-bromo-4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
V024-4071 Screening compound: 3-bromo-4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-4071
3-bromo-4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-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

V024-4071

Molecular Formula

C21H23BrN2O2S (C21 H23 BrN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CCNC(c2cc(scc3Br)c3n2CC2CCC2)=O)cccc1

InChI

InChI=1S/C21H23BrN2O2S/c1-26-18-8-3-2-7-15(18)9-10-23-21(25)17-11-19-20(16(22)13-27-19)24(17)12-14-5-4-6-14/h2-3,7-8,11,13-14H,4-6,9-10,12H2,1H3,(H,23,25)

InChI Key

HBERWILYEDPMLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19896957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-4.64

Polar Surface Area

33.895

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

V024-4071 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 V024-4071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-4071?
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What is the minimum amount of V024-4071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-4071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-4071
  • 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 V024-4071 available by request