V026-5450 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide

V026-5450 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(2-methoxy-5-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
V026-5450 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(2-methoxy-5-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 V026-5450
N-(4-{[1-(4-fluorophenyl)-4-[(2-methoxy-5-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

V026-5450

Molecular Formula

C29H22FN3O4S2 (C29 H22 FN3 O4 S2)

Compound Name

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

IUPAC name

N-(4-{[1-(4-fluorophenyl)-4-[(2-methoxy-5-methylphenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide

SMILES

Cc(cc1)cc(NC(C(N(C2=O)c(cc3)ccc3F)=O)=C2Sc(cc2)ccc2NC(c2cccs2)=O)c1OC

InChI

InChI=1S/C29H22FN3O4S2/c1-17-5-14-23(37-2)22(16-17)32-25-26(29(36)33(28(25)35)20-10-6-18(30)7-11-20)39-21-12-8-19(9-13-21)31-27(34)24-4-3-15-38-24/h3-16,32H,1-2H3,(H,31,34)

InChI Key

FUZWMGLUGNOFEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496503

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

559.64

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

5.350

Distribution Coefficient, logD

5.350

Water Solubility, LogSw

-5.41

Polar Surface Area

69.033

Acid Dissociation Constant (pKa)

11.36

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 V026-5450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5450?
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What is the minimum amount of V026-5450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5450
  • 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 V026-5450 available by request