V031-2553 Screening compound: N-(4-{[1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide

V031-2553 Screening compound: N-(4-{[1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
V031-2553 Screening compound: N-(4-{[1-(4-methylphenyl)-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 V031-2553
N-(4-{[1-(4-methylphenyl)-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

V031-2553

Molecular Formula

C29H23N3O3S2 (C29 H23 N3 O3 S2)

Compound Name

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

IUPAC name

N-(4-{[1-(4-methylphenyl)-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)c2ccc(C)cc2)=O)=C1Sc(cc1)ccc1NC(c1cccs1)=O

InChI

InChI=1S/C29H23N3O3S2/c1-18-5-9-20(10-6-18)30-25-26(29(35)32(28(25)34)22-13-7-19(2)8-14-22)37-23-15-11-21(12-16-23)31-27(33)24-4-3-17-36-24/h3-17,30H,1-2H3,(H,31,33)

InChI Key

YLFYMAUPTUOHQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496128

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.65

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

6.007

Distribution Coefficient, logD

6.007

Water Solubility, LogSw

-5.52

Polar Surface Area

62.101

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

References: we are preparing a list of scientific research reports with V031-2553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2553?
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What is the minimum amount of V031-2553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2553
  • 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 V031-2553 available by request