V012-3983 Screening compound: N-(4-benzamidocyclohexyl)-1-(4-acetamidobenzenesulfonyl)pyrrolidine-2-carboxamide

V012-3983 Screening compound: N-(4-benzamidocyclohexyl)-1-(4-acetamidobenzenesulfonyl)pyrrolidine-2-carboxamide
V012-3983 Screening compound: N-(4-benzamidocyclohexyl)-1-(4-acetamidobenzenesulfonyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3983
N-(4-benzamidocyclohexyl)-1-(4-acetamidobenzenesulfonyl)pyrrolidine-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

V012-3983

Molecular Formula

C26H32N4O5S (C26 H32 N4 O5 S)

Compound Name

N-(4-benzamidocyclohexyl)-1-(4-acetamidobenzenesulfonyl)pyrrolidine-2-carboxamide

IUPAC name

(2S)-1-(4-acetamidobenzenesulfonyl)-N-[(1r4r)-4-benzamidocyclohexyl]pyrrolidine-2-carboxamide

SMILES

CC(Nc(cc1)ccc1S(N(CCC1)C1C(N[C@H](CC1)CC[C@@H]1NC(c1ccccc1)=O)=O)(=O)=O)=O

InChI

InChI=1S/C26H32N4O5S/c1-18(31)27-20-13-15-23(16-14-20)36(34,35)30-17-5-8-24(30)26(33)29-22-11-9-21(10-12-22)28-25(32)19-6-3-2-4-7-19/h2-4,6-7,13-16,21-22,24H,5,8-12,17H2,1H3,(H,27,31)(H,28,32)(H,29,33)/t21?,22?,24-/m0/s1

InChI Key

BAPKXGZFTWDDJZ-IWAAJCSBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.917

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-2.54

Polar Surface Area

104.133

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V012-3983 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Integrin Receptors Targeted library (1715 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Others
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V012-3983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3983?
Check Price and Availability of V012-3983, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V012-3983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3983
  • 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 V012-3983 available by request