V030-0989 Screening compound: 4-chloro-N-[3-({4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide

V030-0989 Screening compound: 4-chloro-N-[3-({4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide
V030-0989 Screening compound: 4-chloro-N-[3-({4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0989
4-chloro-N-[3-({4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide

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

V030-0989

Molecular Formula

C30H24ClN3O5S2 (C30 H24 ClN3 O5 S2)

Compound Name

4-chloro-N-[3-({4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide

IUPAC name

4-chloro-N-[3-({4-[(2-methoxy-5-methylphenyl)amino]-25-dioxo-1-phenyl-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide

SMILES

Cc(cc1)cc(NC(C(N(C2=O)c3ccccc3)=O)=C2Sc2cccc(NS(c(cc3)ccc3Cl)(=O)=O)c2)c1OC

InChI

InChI=1S/C30H24ClN3O5S2/c1-19-11-16-26(39-2)25(17-19)32-27-28(30(36)34(29(27)35)22-8-4-3-5-9-22)40-23-10-6-7-21(18-23)33-41(37,38)24-14-12-20(31)13-15-24/h3-18,32-33H,1-2H3

InChI Key

QOUXIKPYKLZACA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496896

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

606.12

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.684

Distribution Coefficient, logD

5.626

Water Solubility, LogSw

-5.93

Polar Surface Area

85.573

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

V030-0989 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V030-0989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0989?
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What is the minimum amount of V030-0989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0989
  • 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 V030-0989 available by request