V007-5182 Screening compound: 4-bromo-N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

V007-5182 Screening compound: 4-bromo-N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
V007-5182 Screening compound: 4-bromo-N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-5182
4-bromo-N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

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

V007-5182

Molecular Formula

C29H28BrN3O4S (C29 H28 BrN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1NC(C(N(CCCOC)C1=O)=O)=C1Sc(cc1)ccc1NC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C29H28BrN3O4S/c1-18-5-10-23(17-19(18)2)31-25-26(29(36)33(28(25)35)15-4-16-37-3)38-24-13-11-22(12-14-24)32-27(34)20-6-8-21(30)9-7-20/h5-14,17,31H,4,15-16H2,1-3H3,(H,32,34)

InChI Key

JXJZTOOJKIWZJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.130

Distribution Coefficient, logD

6.129

Water Solubility, LogSw

-5.29

Polar Surface Area

70.286

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V007-5182 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V007-5182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5182?
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What is the minimum amount of V007-5182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5182
  • 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 V007-5182 available by request