V005-7899 Screening compound: N~4~-[(1R,2R)-2-(benzoylamino)cyclohexyl]-1-[(4-fluorophenyl)sulfonyl]-4-piperidinecarboxamide

V005-7899 Screening compound: N~4~-[(1R,2R)-2-(benzoylamino)cyclohexyl]-1-[(4-fluorophenyl)sulfonyl]-4-piperidinecarboxamide
V005-7899 Screening compound: N~4~-[(1R,2R)-2-(benzoylamino)cyclohexyl]-1-[(4-fluorophenyl)sulfonyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7899
N~4~-[(1R,2R)-2-(benzoylamino)cyclohexyl]-1-[(4-fluorophenyl)sulfonyl]-4-piperidinecarboxamide

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

V005-7899

Molecular Formula

C25H30FN3O4S (C25 H30 FN3 O4 S)

Compound Name

N~4~-[(1R,2R)-2-(benzoylamino)cyclohexyl]-1-[(4-fluorophenyl)sulfonyl]-4-piperidinecarboxamide

IUPAC name

N-[(1R2R)-2-benzamidocyclohexyl]-1-(4-fluorobenzenesulfonyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c(cc1)ccc1F)(=O)=O)N[C@@H](CCCC1)[C@H]1NC(c1ccccc1)=O

InChI

InChI=1S/C25H30FN3O4S/c26-20-10-12-21(13-11-20)34(32,33)29-16-14-19(15-17-29)25(31)28-23-9-5-4-8-22(23)27-24(30)18-6-2-1-3-7-18/h1-3,6-7,10-13,19,22-23H,4-5,8-9,14-17H2,(H,27,30)(H,28,31)/t22-,23-/m0/s1

InChI Key

KOJTYTRFCZXRBZ-GOTSBHOMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

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

3.009

Distribution Coefficient, logD

3.009

Water Solubility, LogSw

-3.46

Polar Surface Area

80.815

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

V005-7899 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V005-7899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7899?
Check Price and Availability of V005-7899, 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 V005-7899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7899
  • 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 V005-7899 available by request