V031-2503 Screening compound: N-[4-({4-[(3,4-dimethylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide

V031-2503 Screening compound: N-[4-({4-[(3,4-dimethylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
V031-2503 Screening compound: N-[4-({4-[(3,4-dimethylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2503
N-[4-({4-[(3,4-dimethylphenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide

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

V031-2503

Molecular Formula

C29H29N3O3S (C29 H29 N3 O3 S)

Compound Name

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

IUPAC name

N-[4-({4-[(34-dimethylphenyl)amino]-25-dioxo-1-phenyl-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide

SMILES

CC(C)CC(Nc(cc1)ccc1SC(C(N(C1=O)c2ccccc2)=O)=C1Nc1cc(C)c(C)cc1)=O

InChI

InChI=1S/C29H29N3O3S/c1-18(2)16-25(33)30-21-12-14-24(15-13-21)36-27-26(31-22-11-10-19(3)20(4)17-22)28(34)32(29(27)35)23-8-6-5-7-9-23/h5-15,17-18,31H,16H2,1-4H3,(H,30,33)

InChI Key

BUGQVXAJUJYEHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496529

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.912

Distribution Coefficient, logD

5.912

Water Solubility, LogSw

-5.45

Polar Surface Area

61.141

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V031-2503 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 V031-2503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2503?
Check Price and Availability of V031-2503, 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 V031-2503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2503
  • 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 V031-2503 available by request