V029-9053 Screening compound: N-[3-({4-[(4-fluorophenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide

V029-9053 Screening compound: N-[3-({4-[(4-fluorophenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide
V029-9053 Screening compound: N-[3-({4-[(4-fluorophenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9053
N-[3-({4-[(4-fluorophenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide

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

V029-9053

Molecular Formula

C31H24FN3O4S (C31 H24 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(Nc1cccc(SC(C(N(C2=O)c(cc3)ccc3OC)=O)=C2Nc(cc2)ccc2F)c1)=O

InChI

InChI=1S/C31H24FN3O4S/c1-19-6-8-20(9-7-19)29(36)34-23-4-3-5-26(18-23)40-28-27(33-22-12-10-21(32)11-13-22)30(37)35(31(28)38)24-14-16-25(39-2)17-15-24/h3-18,33H,1-2H3,(H,34,36)

InChI Key

KMKAQXLJQWSDSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497579

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

553.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.574

Distribution Coefficient, logD

5.573

Water Solubility, LogSw

-5.47

Polar Surface Area

68.626

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

References: we are preparing a list of scientific research reports with V029-9053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9053?
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What is the minimum amount of V029-9053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9053
  • 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 V029-9053 available by request