V022-8803 Screening compound: 1-{4-[(4-allyl-2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)carbonyl]piperazino}-1-ethanone

V022-8803 Screening compound: 1-{4-[(4-allyl-2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)carbonyl]piperazino}-1-ethanone
V022-8803 Screening compound: 1-{4-[(4-allyl-2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)carbonyl]piperazino}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8803
1-{4-[(4-allyl-2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)carbonyl]piperazino}-1-ethanone

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

V022-8803

Molecular Formula

C17H21N3O2S (C17 H21 N3 O2 S)

Compound Name

1-{4-[(4-allyl-2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)carbonyl]piperazino}-1-ethanone

IUPAC name

n/a

SMILES

CC(N(CC1)CCN1C(c1cc(sc(C)c2)c2n1CC=C)=O)=O

InChI

InChI=1S/C17H21N3O2S/c1-4-5-20-14-10-12(2)23-16(14)11-15(20)17(22)19-8-6-18(7-9-19)13(3)21/h4,10-11H,1,5-9H2,2-3H3

InChI Key

KLFAMQTZQUFEPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19895680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.492

Distribution Coefficient, logD

2.492

Water Solubility, LogSw

-2.42

Polar Surface Area

35.805

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

V022-8803 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V022-8803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8803?
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What is the minimum amount of V022-8803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8803
  • 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 V022-8803 available by request