V013-5972 Screening compound: N-(4-benzamidocyclohexyl)-1-(2,4,6-trimethylbenzenesulfonyl)pyrrolidine-2-carboxamide

V013-5972 Screening compound: N-(4-benzamidocyclohexyl)-1-(2,4,6-trimethylbenzenesulfonyl)pyrrolidine-2-carboxamide
V013-5972 Screening compound: N-(4-benzamidocyclohexyl)-1-(2,4,6-trimethylbenzenesulfonyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5972
N-(4-benzamidocyclohexyl)-1-(2,4,6-trimethylbenzenesulfonyl)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

V013-5972

Molecular Formula

C27H35N3O4S (C27 H35 N3 O4 S)

Compound Name

N-(4-benzamidocyclohexyl)-1-(2,4,6-trimethylbenzenesulfonyl)pyrrolidine-2-carboxamide

IUPAC name

(2S)-N-[(1r4r)-4-benzamidocyclohexyl]-1-(246-trimethylbenzenesulfonyl)pyrrolidine-2-carboxamide

SMILES

Cc(cc1C)cc(C)c1S(N(CCC1)C1C(N[C@H](CC1)CC[C@@H]1NC(c1ccccc1)=O)=O)(=O)=O

InChI

InChI=1S/C27H35N3O4S/c1-18-16-19(2)25(20(3)17-18)35(33,34)30-15-7-10-24(30)27(32)29-23-13-11-22(12-14-23)28-26(31)21-8-5-4-6-9-21/h4-6,8-9,16-17,22-24H,7,10-15H2,1-3H3,(H,28,31)(H,29,32)/t22?,23?,24-/m0/s1

InChI Key

LUSXFAXNOZEYJR-VHYCJAOWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.020

Distribution Coefficient, logD

4.020

Water Solubility, LogSw

-3.94

Polar Surface Area

80.871

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

V013-5972 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V013-5972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5972?
Check Price and Availability of V013-5972, 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 V013-5972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5972
  • 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 V013-5972 available by request