V012-6102 Screening compound: N-[trans-4-(benzoylamino)cyclohexyl]-1-(4-methoxybenzoyl)-L-prolinamide

V012-6102 Screening compound: N-[trans-4-(benzoylamino)cyclohexyl]-1-(4-methoxybenzoyl)-L-prolinamide
V012-6102 Screening compound: N-[trans-4-(benzoylamino)cyclohexyl]-1-(4-methoxybenzoyl)-L-prolinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6102
N-[trans-4-(benzoylamino)cyclohexyl]-1-(4-methoxybenzoyl)-L-prolinamide

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

V012-6102

Molecular Formula

C26H31N3O4 (C26 H31 N3 O4)

Compound Name

N-[trans-4-(benzoylamino)cyclohexyl]-1-(4-methoxybenzoyl)-L-prolinamide

IUPAC name

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

SMILES

COc(cc1)ccc1C(N(CCC1)C1C(N[C@H](CC1)CC[C@@H]1NC(c1ccccc1)=O)=O)=O

InChI

InChI=1S/C26H31N3O4/c1-33-22-15-9-19(10-16-22)26(32)29-17-5-8-23(29)25(31)28-21-13-11-20(12-14-21)27-24(30)18-6-3-2-4-7-18/h2-4,6-7,9-10,15-16,20-21,23H,5,8,11-14,17H2,1H3,(H,27,30)(H,28,31)/t20?,21?,23-/m0/s1

InChI Key

SLWHRCGLLPGWIS-BBHUYCHWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.718

Distribution Coefficient, logD

2.718

Water Solubility, LogSw

-3.02

Polar Surface Area

72.576

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

V012-6102 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • 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 V012-6102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6102?
Check Price and Availability of V012-6102, 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 V012-6102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6102
  • 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 V012-6102 available by request