V028-7138 Screening compound: N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide

V028-7138 Screening compound: N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
V028-7138 Screening compound: N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7138
N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide

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

V028-7138

Molecular Formula

C30H30N4O6S (C30 H30 N4 O6 S)

Compound Name

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

IUPAC name

N-(3-{[1-(3-methoxypropyl)-25-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide

SMILES

CC(C)c(cc1)ccc1NC(C(N(CCCOC)C1=O)=O)=C1Sc1cc(NC(c(cc2)ccc2[N+]([O-])=O)=O)ccc1

InChI

InChI=1S/C30H30N4O6S/c1-19(2)20-8-12-22(13-9-20)31-26-27(30(37)33(29(26)36)16-5-17-40-3)41-25-7-4-6-23(18-25)32-28(35)21-10-14-24(15-11-21)34(38)39/h4,6-15,18-19,31H,5,16-17H2,1-3H3,(H,32,35)

InChI Key

IOVBXMNBJLUZFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497679

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

574.66

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.463

Distribution Coefficient, logD

5.462

Water Solubility, LogSw

-5.32

Polar Surface Area

103.668

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V028-7138 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V028-7138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7138?
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What is the minimum amount of V028-7138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7138
  • 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 V028-7138 available by request