V009-1113 Screening compound: 2-[N-butyl-1-(2,4-dichlorophenyl)formamido]-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide

V009-1113 Screening compound: 2-[N-butyl-1-(2,4-dichlorophenyl)formamido]-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide
V009-1113 Screening compound: 2-[N-butyl-1-(2,4-dichlorophenyl)formamido]-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1113
2-[N-butyl-1-(2,4-dichlorophenyl)formamido]-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]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

V009-1113

Molecular Formula

C28H34Cl2N4O2 (C28 H34 Cl2 N4 O2)

Compound Name

2-[N-butyl-1-(2,4-dichlorophenyl)formamido]-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide

IUPAC name

2-[N-butyl-1-(24-dichlorophenyl)formamido]-N-[3-tert-butyl-1-(24-dimethylphenyl)-1H-pyrazol-5-yl]acetamide

SMILES

CCCCN(CC(Nc1cc(C(C)(C)C)nn1-c1c(C)cc(C)cc1)=O)C(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C28H34Cl2N4O2/c1-7-8-13-33(27(36)21-11-10-20(29)15-22(21)30)17-26(35)31-25-16-24(28(4,5)6)32-34(25)23-12-9-18(2)14-19(23)3/h9-12,14-16H,7-8,13,17H2,1-6H3,(H,31,35)

InChI Key

CDXQDVRXBAAGOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19715226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.739

Distribution Coefficient, logD

7.738

Water Solubility, LogSw

-6.53

Polar Surface Area

53.711

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V009-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1113?
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What is the minimum amount of V009-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1113
  • 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 V009-1113 available by request