V031-2757 Screening compound: 3-[3-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-1-(4-methoxyphenyl)urea

V031-2757 Screening compound: 3-[3-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-1-(4-methoxyphenyl)urea
V031-2757 Screening compound: 3-[3-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-1-(4-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2757
3-[3-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-1-(4-methoxyphenyl)urea

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

V031-2757

Molecular Formula

C30H23BrN4O4S (C30 H23 BrN4 O4 S)

Compound Name

3-[3-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-1-(4-methoxyphenyl)urea

IUPAC name

3-[3-({4-[(4-bromophenyl)amino]-25-dioxo-1-phenyl-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-1-(4-methoxyphenyl)urea

SMILES

COc(cc1)ccc1NC(Nc1cccc(SC(C(N(C2=O)c3ccccc3)=O)=C2Nc(cc2)ccc2Br)c1)=O

InChI

InChI=1S/C30H23BrN4O4S/c1-39-24-16-14-21(15-17-24)33-30(38)34-22-6-5-9-25(18-22)40-27-26(32-20-12-10-19(31)11-13-20)28(36)35(29(27)37)23-7-3-2-4-8-23/h2-18,32H,1H3,(H2,33,34,38)

InChI Key

WNDIEAJRMJTFQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496889

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

615.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.484

Distribution Coefficient, logD

6.484

Water Solubility, LogSw

-5.71

Polar Surface Area

77.838

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

V031-2757 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V031-2757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2757?
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What is the minimum amount of V031-2757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2757
  • 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 V031-2757 available by request