V020-9043 Screening compound: (2S)-N~2~-{3-[(4-fluorobenzoyl)amino]propyl}-1-[2-(2-thienyl)acetyl]tetrahydro-1H-pyrrole-2-carboxamide

V020-9043 Screening compound: (2S)-N~2~-{3-[(4-fluorobenzoyl)amino]propyl}-1-[2-(2-thienyl)acetyl]tetrahydro-1H-pyrrole-2-carboxamide
V020-9043 Screening compound: (2S)-N~2~-{3-[(4-fluorobenzoyl)amino]propyl}-1-[2-(2-thienyl)acetyl]tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-9043
(2S)-N~2~-{3-[(4-fluorobenzoyl)amino]propyl}-1-[2-(2-thienyl)acetyl]tetrahydro-1H-pyrrole-2-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

V020-9043

Molecular Formula

C21H24FN3O3S (C21 H24 FN3 O3 S)

Compound Name

(2S)-N~2~-{3-[(4-fluorobenzoyl)amino]propyl}-1-[2-(2-thienyl)acetyl]tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

4-fluoro-N-(3-{[(2S)-1-[2-(thiophen-2-yl)acetyl]pyrrolidin-2-yl]formamido}propyl)benzamide

SMILES

O=C(Cc1cccs1)N(CCC1)C1C(NCCCNC(c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C21H24FN3O3S/c22-16-8-6-15(7-9-16)20(27)23-10-3-11-24-21(28)18-5-1-12-25(18)19(26)14-17-4-2-13-29-17/h2,4,6-9,13,18H,1,3,5,10-12,14H2,(H,23,27)(H,24,28)/t18-/m0/s1

InChI Key

VAHGIKYUEWFDFP-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.314

Distribution Coefficient, logD

1.314

Water Solubility, LogSw

-2.10

Polar Surface Area

66.219

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

V020-9043 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V020-9043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-9043?
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What is the minimum amount of V020-9043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-9043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-9043
  • 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 V020-9043 available by request