V028-4687 Screening compound: 4-tert-butyl-N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

V028-4687 Screening compound: 4-tert-butyl-N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
V028-4687 Screening compound: 4-tert-butyl-N-[3-({4-[(4-methoxyphenyl)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 V028-4687
4-tert-butyl-N-[3-({4-[(4-methoxyphenyl)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

V028-4687

Molecular Formula

C32H35N3O5S (C32 H35 N3 O5 S)

Compound Name

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

IUPAC name

4-tert-butyl-N-[3-({4-[(4-methoxyphenyl)amino]-1-(3-methoxypropyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1cccc(SC(C(N(CCCOC)C2=O)=O)=C2Nc(cc2)ccc2OC)c1)=O

InChI

InChI=1S/C32H35N3O5S/c1-32(2,3)22-12-10-21(11-13-22)29(36)34-24-8-6-9-26(20-24)41-28-27(33-23-14-16-25(40-5)17-15-23)30(37)35(31(28)38)18-7-19-39-4/h6,8-17,20,33H,7,18-19H2,1-5H3,(H,34,36)

InChI Key

KOLJCAHCDMXJKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497516

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

573.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.976

Distribution Coefficient, logD

5.974

Water Solubility, LogSw

-5.38

Polar Surface Area

77.830

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

V028-4687 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 V028-4687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4687?
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What is the minimum amount of V028-4687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4687
  • 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 V028-4687 available by request