V029-7438 Screening compound: N-[4-({4-[(3,4-dimethylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide

V029-7438 Screening compound: N-[4-({4-[(3,4-dimethylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
V029-7438 Screening compound: N-[4-({4-[(3,4-dimethylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7438
N-[4-({4-[(3,4-dimethylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide

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

V029-7438

Molecular Formula

C32H25N3O5S (C32 H25 N3 O5 S)

Compound Name

N-[4-({4-[(3,4-dimethylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[4-({4-[(34-dimethylphenyl)amino]-25-dioxo-1-phenyl-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-13-benzodioxole-5-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(C(N(C1=O)c2ccccc2)=O)=C1Sc(cc1)ccc1NC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C32H25N3O5S/c1-19-8-10-23(16-20(19)2)33-28-29(32(38)35(31(28)37)24-6-4-3-5-7-24)41-25-13-11-22(12-14-25)34-30(36)21-9-15-26-27(17-21)40-18-39-26/h3-17,33H,18H2,1-2H3,(H,34,36)

InChI Key

VJBFJPNIGFPGTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496602

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

563.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

6.036

Water Solubility, LogSw

-5.49

Polar Surface Area

78.198

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

References: we are preparing a list of scientific research reports with V029-7438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7438?
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What is the minimum amount of V029-7438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7438
  • 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 V029-7438 available by request