V017-3081 Screening compound: 2-[(cyclohexylcarbamoyl)(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V017-3081 Screening compound: 2-[(cyclohexylcarbamoyl)(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V017-3081 Screening compound: 2-[(cyclohexylcarbamoyl)(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3081
2-[(cyclohexylcarbamoyl)(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

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

V017-3081

Molecular Formula

C26H36FN3O2S (C26 H36 FN3 O2 S)

Compound Name

2-[(cyclohexylcarbamoyl)(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

IUPAC name

2-[(cyclohexylcarbamoyl)(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

CC(C)CN(CC(N(Cc1c(C)ccs1)Cc(cc1)ccc1F)=O)C(NC1CCCCC1)=O

InChI

InChI=1S/C26H36FN3O2S/c1-19(2)15-30(26(32)28-23-7-5-4-6-8-23)18-25(31)29(17-24-20(3)13-14-33-24)16-21-9-11-22(27)12-10-21/h9-14,19,23H,4-8,15-18H2,1-3H3,(H,28,32)

InChI Key

GFFOKTQKEGZNMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19750806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.781

Distribution Coefficient, logD

5.781

Water Solubility, LogSw

-5.29

Polar Surface Area

43.020

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

V017-3081 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 V017-3081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3081?
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What is the minimum amount of V017-3081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3081
  • 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 V017-3081 available by request