V025-8872 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide

V025-8872 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide
V025-8872 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8872
N-[3-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-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

V025-8872

Molecular Formula

C28H26BrN3O4S (C28 H26 BrN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C(C(Nc(cc1)ccc1Br)=C1Sc2cc(NC(c3cc(OC)ccc3)=O)ccc2)=O)C1=O

InChI

InChI=1S/C28H26BrN3O4S/c1-17(2)16-32-27(34)24(30-20-12-10-19(29)11-13-20)25(28(32)35)37-23-9-5-7-21(15-23)31-26(33)18-6-4-8-22(14-18)36-3/h4-15,17,30H,16H2,1-3H3,(H,31,33)

InChI Key

CDHXZOZHWCQQQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.143

Distribution Coefficient, logD

6.087

Water Solubility, LogSw

-5.45

Polar Surface Area

69.509

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V025-8872 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V025-8872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8872?
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What is the minimum amount of V025-8872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8872
  • 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 V025-8872 available by request