V030-8701 Screening compound: N-(3-{[1-(4-fluorophenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide

V030-8701 Screening compound: N-(3-{[1-(4-fluorophenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
V030-8701 Screening compound: N-(3-{[1-(4-fluorophenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-8701
N-(3-{[1-(4-fluorophenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-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

V030-8701

Molecular Formula

C28H20FN3O3S2 (C28 H20 FN3 O3 S2)

Compound Name

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

IUPAC name

N-(3-{[1-(4-fluorophenyl)-4-[(4-methylphenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide

SMILES

Cc(cc1)ccc1NC(C(N(C1=O)c(cc2)ccc2F)=O)=C1Sc1cccc(NC(c2cccs2)=O)c1

InChI

InChI=1S/C28H20FN3O3S2/c1-17-7-11-19(12-8-17)30-24-25(28(35)32(27(24)34)21-13-9-18(29)10-14-21)37-22-5-2-4-20(16-22)31-26(33)23-6-3-15-36-23/h2-16,30H,1H3,(H,31,33)

InChI Key

MICKFXXPJZPCHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496508

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.62

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

5.504

Distribution Coefficient, logD

5.504

Water Solubility, LogSw

-5.43

Polar Surface Area

62.101

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

V030-8701 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 V030-8701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-8701?
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What is the minimum amount of V030-8701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-8701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-8701
  • 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 V030-8701 available by request