V030-8686 Screening compound: N-[3-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzene-1-sulfonamide

V030-8686 Screening compound: N-[3-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzene-1-sulfonamide
V030-8686 Screening compound: N-[3-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-8686
N-[3-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzene-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

V030-8686

Molecular Formula

C29H22FN3O4S2 (C29 H22 FN3 O4 S2)

Compound Name

N-[3-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzene-1-sulfonamide

IUPAC name

N-[3-({4-[(4-fluorophenyl)amino]-25-dioxo-1-phenyl-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc1cc(SC(C(N(C2=O)c3ccccc3)=O)=C2Nc(cc2)ccc2F)ccc1)(=O)=O

InChI

InChI=1S/C29H22FN3O4S2/c1-19-10-16-25(17-11-19)39(36,37)32-22-6-5-9-24(18-22)38-27-26(31-21-14-12-20(30)13-15-21)28(34)33(29(27)35)23-7-3-2-4-8-23/h2-18,31-32H,1H3

InChI Key

LDRRWFBEFGYVRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496899

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

559.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.382

Distribution Coefficient, logD

5.359

Water Solubility, LogSw

-5.40

Polar Surface Area

78.641

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

V030-8686 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 V030-8686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-8686?
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What is the minimum amount of V030-8686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-8686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-8686
  • 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 V030-8686 available by request