V031-2498 Screening compound: methyl 2-({[4-({4-[(3,4-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

V031-2498 Screening compound: methyl 2-({[4-({4-[(3,4-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
V031-2498 Screening compound: methyl 2-({[4-({4-[(3,4-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2498
methyl 2-({[4-({4-[(3,4-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

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

V031-2498

Molecular Formula

C32H29N3O7S2 (C32 H29 N3 O7 S2)

Compound Name

methyl 2-({[4-({4-[(3,4-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

IUPAC name

methyl 2-({[4-({4-[(34-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

SMILES

Cc(cc1)c(C)cc1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc(cc1)ccc1NS(Cc(cccc1)c1C(OC)=O)(=O)=O

InChI

InChI=1S/C32H29N3O7S2/c1-20-10-11-24(17-21(20)2)33-28-29(31(37)35(30(28)36)18-25-8-6-16-42-25)43-26-14-12-23(13-15-26)34-44(39,40)19-22-7-4-5-9-27(22)32(38)41-3/h4-17,33-34H,18-19H2,1-3H3

InChI Key

HSYZZLHYZJWXDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497331

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

631.73

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.035

Distribution Coefficient, logD

5.987

Water Solubility, LogSw

-5.47

Polar Surface Area

109.802

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

V031-2498 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V031-2498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2498?
Check Price and Availability of V031-2498, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V031-2498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2498
  • 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 V031-2498 available by request