V021-5443 Screening compound: 2-bromo-4-(cyclobutylmethyl)-N-[(pyridin-2-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

V021-5443 Screening compound: 2-bromo-4-(cyclobutylmethyl)-N-[(pyridin-2-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
V021-5443 Screening compound: 2-bromo-4-(cyclobutylmethyl)-N-[(pyridin-2-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5443
2-bromo-4-(cyclobutylmethyl)-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

V021-5443

Molecular Formula

C18H18BrN3OS (C18 H18 BrN3 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(sc(Br)c2)c2n1CC1CCC1)NCc1ncccc1

InChI

InChI=1S/C18H18BrN3OS/c19-17-9-14-16(24-17)8-15(22(14)11-12-4-3-5-12)18(23)21-10-13-6-1-2-7-20-13/h1-2,6-9,12H,3-5,10-11H2,(H,21,23)

InChI Key

OBZWCBYBBFCGPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19896512

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.33

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

4.066

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.25

Polar Surface Area

36.190

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V021-5443 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V021-5443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5443?
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What is the minimum amount of V021-5443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5443
  • 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 V021-5443 available by request