V009-1096 Screening compound: 2-[1-(4-chlorophenyl)-N-propylformamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

V009-1096 Screening compound: 2-[1-(4-chlorophenyl)-N-propylformamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
V009-1096 Screening compound: 2-[1-(4-chlorophenyl)-N-propylformamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1096
2-[1-(4-chlorophenyl)-N-propylformamido]-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

V009-1096

Molecular Formula

C25H26ClFN2O2S (C25 H26 ClFN2 O2 S)

Compound Name

2-[1-(4-chlorophenyl)-N-propylformamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

IUPAC name

2-[1-(4-chlorophenyl)-N-propylformamido]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

SMILES

CCCN(CC(N(Cc1ccc(C)s1)Cc(cc1)ccc1F)=O)C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H26ClFN2O2S/c1-3-14-28(25(31)20-7-9-21(26)10-8-20)17-24(30)29(16-23-13-4-18(2)32-23)15-19-5-11-22(27)12-6-19/h4-13H,3,14-17H2,1-2H3

InChI Key

BOXUXGDBSGVIPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19758691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.317

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.94

Polar Surface Area

33.130

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V009-1096 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V009-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1096?
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What is the minimum amount of V009-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1096
  • 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 V009-1096 available by request