V027-1096 Screening compound: 2-(N-cyclohexyl-1-cyclopentylformamido)-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

V027-1096 Screening compound: 2-(N-cyclohexyl-1-cyclopentylformamido)-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
V027-1096 Screening compound: 2-(N-cyclohexyl-1-cyclopentylformamido)-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-1096
2-(N-cyclohexyl-1-cyclopentylformamido)-N-[(4-fluorophenyl)methyl]-N-[(5-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

V027-1096

Molecular Formula

C27H35FN2O2S (C27 H35 FN2 O2 S)

Compound Name

2-(N-cyclohexyl-1-cyclopentylformamido)-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

IUPAC name

2-(N-cyclohexyl-1-cyclopentylformamido)-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

SMILES

Cc1ccc(CN(Cc(cc2)ccc2F)C(CN(C2CCCCC2)C(C2CCCC2)=O)=O)s1

InChI

InChI=1S/C27H35FN2O2S/c1-20-11-16-25(33-20)18-29(17-21-12-14-23(28)15-13-21)26(31)19-30(24-9-3-2-4-10-24)27(32)22-7-5-6-8-22/h11-16,22,24H,2-10,17-19H2,1H3

InChI Key

HJIQXXBNEDXFFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19763430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.967

Distribution Coefficient, logD

5.967

Water Solubility, LogSw

-5.29

Polar Surface Area

32.683

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

V027-1096 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 V027-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-1096?
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What is the minimum amount of V027-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-1096
  • 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 V027-1096 available by request