V029-8302 Screening compound: 4-fluoro-N-(4-{[1-(4-methylphenyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

V029-8302 Screening compound: 4-fluoro-N-(4-{[1-(4-methylphenyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
V029-8302 Screening compound: 4-fluoro-N-(4-{[1-(4-methylphenyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8302
4-fluoro-N-(4-{[1-(4-methylphenyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

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

V029-8302

Molecular Formula

C30H22FN3O3S (C30 H22 FN3 O3 S)

Compound Name

4-fluoro-N-(4-{[1-(4-methylphenyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

IUPAC name

4-fluoro-N-(4-{[1-(4-methylphenyl)-25-dioxo-4-(phenylamino)-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

SMILES

Cc(cc1)ccc1N(C(C(Nc1ccccc1)=C1Sc(cc2)ccc2NC(c(cc2)ccc2F)=O)=O)C1=O

InChI

InChI=1S/C30H22FN3O3S/c1-19-7-15-24(16-8-19)34-29(36)26(32-22-5-3-2-4-6-22)27(30(34)37)38-25-17-13-23(14-18-25)33-28(35)20-9-11-21(31)12-10-20/h2-18,32H,1H3,(H,33,35)

InChI Key

DSLHBGGXZQPVGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496097

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

523.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.509

Distribution Coefficient, logD

5.507

Water Solubility, LogSw

-5.55

Polar Surface Area

61.082

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

References: we are preparing a list of scientific research reports with V029-8302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8302?
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What is the minimum amount of V029-8302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8302
  • 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 V029-8302 available by request