V012-6843 Screening compound: N-[trans-4-(benzoylamino)cyclohexyl]-1-{[(E)-2-phenylvinyl]sulfonyl}-L-prolinamide

V012-6843 Screening compound: N-[trans-4-(benzoylamino)cyclohexyl]-1-{[(E)-2-phenylvinyl]sulfonyl}-L-prolinamide
V012-6843 Screening compound: N-[trans-4-(benzoylamino)cyclohexyl]-1-{[(E)-2-phenylvinyl]sulfonyl}-L-prolinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6843
N-[trans-4-(benzoylamino)cyclohexyl]-1-{[(E)-2-phenylvinyl]sulfonyl}-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

V012-6843

Molecular Formula

C26H31N3O4S (C26 H31 N3 O4 S)

Compound Name

N-[trans-4-(benzoylamino)cyclohexyl]-1-{[(E)-2-phenylvinyl]sulfonyl}-L-prolinamide

IUPAC name

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

SMILES

O=C(C(CCC1)N1S(/C=C/c1ccccc1)(=O)=O)N[C@H](CC1)CC[C@@H]1NC(c1ccccc1)=O

InChI

InChI=1S/C26H31N3O4S/c30-25(21-10-5-2-6-11-21)27-22-13-15-23(16-14-22)28-26(31)24-12-7-18-29(24)34(32,33)19-17-20-8-3-1-4-9-20/h1-6,8-11,17,19,22-24H,7,12-16,18H2,(H,27,30)(H,28,31)/t22?,23?,24-/m0/s1

InChI Key

DJCZFKOFRMNURM-VHYCJAOWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.44

Polar Surface Area

80.766

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

V012-6843 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-6843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6843?
Check Price and Availability of V012-6843, 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 V012-6843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6843
  • 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 V012-6843 available by request