V022-6461 Screening compound: (2S)-N~2~-[3-(benzoylamino)propyl]-1-(3-chlorobenzoyl)tetrahydro-1H-pyrrole-2-carboxamide

V022-6461 Screening compound: (2S)-N~2~-[3-(benzoylamino)propyl]-1-(3-chlorobenzoyl)tetrahydro-1H-pyrrole-2-carboxamide
V022-6461 Screening compound: (2S)-N~2~-[3-(benzoylamino)propyl]-1-(3-chlorobenzoyl)tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6461
(2S)-N~2~-[3-(benzoylamino)propyl]-1-(3-chlorobenzoyl)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

V022-6461

Molecular Formula

C22H24ClN3O3 (C22 H24 ClN3 O3)

Compound Name

(2S)-N~2~-[3-(benzoylamino)propyl]-1-(3-chlorobenzoyl)tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

N-(3-{[(2S)-1-(3-chlorobenzoyl)pyrrolidin-2-yl]formamido}propyl)benzamide

SMILES

O=C(C(CCC1)N1C(c1cccc(Cl)c1)=O)NCCCNC(c1ccccc1)=O

InChI

InChI=1S/C22H24ClN3O3/c23-18-10-4-9-17(15-18)22(29)26-14-5-11-19(26)21(28)25-13-6-12-24-20(27)16-7-2-1-3-8-16/h1-4,7-10,15,19H,5-6,11-14H2,(H,24,27)(H,25,28)/t19-/m0/s1

InChI Key

CTAKKBWXGHANDR-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.101

Distribution Coefficient, logD

2.101

Water Solubility, LogSw

-3.20

Polar Surface Area

65.728

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

V022-6461 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V022-6461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6461?
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What is the minimum amount of V022-6461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6461
  • 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 V022-6461 available by request