V003-7991 Screening compound: N-(2-benzamidocyclohexyl)-1-(naphthalene-2-sulfonyl)piperidine-3-carboxamide

V003-7991 Screening compound: N-(2-benzamidocyclohexyl)-1-(naphthalene-2-sulfonyl)piperidine-3-carboxamide
V003-7991 Screening compound: N-(2-benzamidocyclohexyl)-1-(naphthalene-2-sulfonyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7991
N-(2-benzamidocyclohexyl)-1-(naphthalene-2-sulfonyl)piperidine-3-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

V003-7991

Molecular Formula

C29H33N3O4S (C29 H33 N3 O4 S)

Compound Name

N-(2-benzamidocyclohexyl)-1-(naphthalene-2-sulfonyl)piperidine-3-carboxamide

IUPAC name

N-[(1R2R)-2-benzamidocyclohexyl]-1-(naphthalene-2-sulfonyl)piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1S(c1cc2ccccc2cc1)(=O)=O)N[C@@H](CCCC1)[C@H]1NC(c1ccccc1)=O

InChI

InChI=1S/C29H33N3O4S/c33-28(22-10-2-1-3-11-22)30-26-14-6-7-15-27(26)31-29(34)24-13-8-18-32(20-24)37(35,36)25-17-16-21-9-4-5-12-23(21)19-25/h1-5,9-12,16-17,19,24,26-27H,6-8,13-15,18,20H2,(H,30,33)(H,31,34)/t24?,26-,27-/m0/s1

InChI Key

TXKYWJOKAPYSPU-AXJMSPCVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.66

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

4.015

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.09

Polar Surface Area

80.477

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

37.90

V003-7991 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-7991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7991?
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What is the minimum amount of V003-7991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7991
  • 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 V003-7991 available by request