V012-2595 Screening compound: 2-{butyl[(3-chlorophenyl)carbamoyl]amino}-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

V012-2595 Screening compound: 2-{butyl[(3-chlorophenyl)carbamoyl]amino}-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
V012-2595 Screening compound: 2-{butyl[(3-chlorophenyl)carbamoyl]amino}-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-2595
2-{butyl[(3-chlorophenyl)carbamoyl]amino}-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

V012-2595

Molecular Formula

C26H29ClFN3O2S (C26 H29 ClFN3 O2 S)

Compound Name

2-{butyl[(3-chlorophenyl)carbamoyl]amino}-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

IUPAC name

2-{butyl[(3-chlorophenyl)carbamoyl]amino}-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

SMILES

CCCCN(CC(N(Cc1ccc(C)s1)Cc(cc1)ccc1F)=O)C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C26H29ClFN3O2S/c1-3-4-14-30(26(33)29-23-7-5-6-21(27)15-23)18-25(32)31(17-24-13-8-19(2)34-24)16-20-9-11-22(28)12-10-20/h5-13,15H,3-4,14,16-18H2,1-2H3,(H,29,33)

InChI Key

OCQYCBPHAQKNGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19762134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.05

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.389

Distribution Coefficient, logD

6.389

Water Solubility, LogSw

-6.11

Polar Surface Area

41.951

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V012-2595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-2595?
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What is the minimum amount of V012-2595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-2595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-2595
  • 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 V012-2595 available by request