V031-2745 Screening compound: N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

V031-2745 Screening compound: N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide
V031-2745 Screening compound: N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2745
N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

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

V031-2745

Molecular Formula

C32H29N3O5S (C32 H29 N3 O5 S)

Compound Name

N-[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

IUPAC name

N-[4-({1-[(furan-2-yl)methyl]-25-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

SMILES

CC(C)c(cc1)ccc1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc(cc1)ccc1NC(c1cc(OC)ccc1)=O

InChI

InChI=1S/C32H29N3O5S/c1-20(2)21-9-11-23(12-10-21)33-28-29(32(38)35(31(28)37)19-26-8-5-17-40-26)41-27-15-13-24(14-16-27)34-30(36)22-6-4-7-25(18-22)39-3/h4-18,20,33H,19H2,1-3H3,(H,34,36)

InChI Key

CTJWXVTYBLVEGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497382

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

567.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.370

Distribution Coefficient, logD

6.370

Water Solubility, LogSw

-5.56

Polar Surface Area

76.987

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

References: we are preparing a list of scientific research reports with V031-2745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2745?
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What is the minimum amount of V031-2745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2745
  • 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 V031-2745 available by request