V031-0109 Screening compound: N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

V031-0109 Screening compound: N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide
V031-0109 Screening compound: N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0109
N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methoxyphenyl)amino]-2,5-dioxo-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

V031-0109

Molecular Formula

C30H25N3O6S (C30 H25 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc1cc(NC(c2cc(OC)ccc2)=O)ccc1

InChI

InChI=1S/C30H25N3O6S/c1-37-22-13-11-20(12-14-22)31-26-27(30(36)33(29(26)35)18-24-9-5-15-39-24)40-25-10-4-7-21(17-25)32-28(34)19-6-3-8-23(16-19)38-2/h3-17,31H,18H2,1-2H3,(H,32,34)

InChI Key

QDIDTQOBLZDYBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496348

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

555.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.905

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-4.62

Polar Surface Area

84.530

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with V031-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0109?
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What is the minimum amount of V031-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0109
  • 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 V031-0109 available by request