V012-6685 Screening compound: N-(4-benzamidocyclohexyl)-1-(3-chlorobenzoyl)pyrrolidine-2-carboxamide

V012-6685 Screening compound: N-(4-benzamidocyclohexyl)-1-(3-chlorobenzoyl)pyrrolidine-2-carboxamide
V012-6685 Screening compound: N-(4-benzamidocyclohexyl)-1-(3-chlorobenzoyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6685
N-(4-benzamidocyclohexyl)-1-(3-chlorobenzoyl)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

V012-6685

Molecular Formula

C25H28ClN3O3 (C25 H28 ClN3 O3)

Compound Name

N-(4-benzamidocyclohexyl)-1-(3-chlorobenzoyl)pyrrolidine-2-carboxamide

IUPAC name

(2S)-1-(3-chlorobenzoyl)-N-[(1r4r)-4-benzamidocyclohexyl]pyrrolidine-2-carboxamide

SMILES

O=C(C(CCC1)N1C(c1cccc(Cl)c1)=O)N[C@H](CC1)CC[C@@H]1NC(c1ccccc1)=O

InChI

InChI=1S/C25H28ClN3O3/c26-19-9-4-8-18(16-19)25(32)29-15-5-10-22(29)24(31)28-21-13-11-20(12-14-21)27-23(30)17-6-2-1-3-7-17/h1-4,6-9,16,20-22H,5,10-15H2,(H,27,30)(H,28,31)/t20?,21?,22-/m0/s1

InChI Key

YUHGKGKJJIHXQD-HRTMPFAESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.315

Distribution Coefficient, logD

3.315

Water Solubility, LogSw

-3.79

Polar Surface Area

65.032

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V012-6685 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V012-6685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6685?
Check Price and Availability of V012-6685, 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 V012-6685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6685
  • 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 V012-6685 available by request