V017-4602 Screening compound: N-[2-(4-fluorobenzamido)cyclohexyl]-1-hexanoylpiperidine-4-carboxamide

V017-4602 Screening compound: N-[2-(4-fluorobenzamido)cyclohexyl]-1-hexanoylpiperidine-4-carboxamide
V017-4602 Screening compound: N-[2-(4-fluorobenzamido)cyclohexyl]-1-hexanoylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4602
N-[2-(4-fluorobenzamido)cyclohexyl]-1-hexanoylpiperidine-4-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

V017-4602

Molecular Formula

C25H36FN3O3 (C25 H36 FN3 O3)

Compound Name

N-[2-(4-fluorobenzamido)cyclohexyl]-1-hexanoylpiperidine-4-carboxamide

IUPAC name

N-[(1R2R)-2-(4-fluorobenzamido)cyclohexyl]-1-hexanoylpiperidine-4-carboxamide

SMILES

CCCCCC(N(CC1)CCC1C(N[C@@H](CCCC1)[C@H]1NC(c(cc1)ccc1F)=O)=O)=O

InChI

InChI=1S/C25H36FN3O3/c1-2-3-4-9-23(30)29-16-14-19(15-17-29)25(32)28-22-8-6-5-7-21(22)27-24(31)18-10-12-20(26)13-11-18/h10-13,19,21-22H,2-9,14-17H2,1H3,(H,27,31)(H,28,32)/t21-,22-/m0/s1

InChI Key

LXEHWZGNHDTIJA-VXKWHMMOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.352

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-3.33

Polar Surface Area

65.496

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.00

V017-4602 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V017-4602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4602?
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What is the minimum amount of V017-4602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4602
  • 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 V017-4602 available by request