V026-5451 Screening compound: 2-chloro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

V026-5451 Screening compound: 2-chloro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
V026-5451 Screening compound: 2-chloro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5451
2-chloro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-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

V026-5451

Molecular Formula

C27H24ClN3O4S (C27 H24 ClN3 O4 S)

Compound Name

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

IUPAC name

2-chloro-N-(4-{[1-(3-methoxypropyl)-25-dioxo-4-(phenylamino)-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

SMILES

COCCCN(C(C(Nc1ccccc1)=C1Sc(cc2)ccc2NC(c(cccc2)c2Cl)=O)=O)C1=O

InChI

InChI=1S/C27H24ClN3O4S/c1-35-17-7-16-31-26(33)23(29-18-8-3-2-4-9-18)24(27(31)34)36-20-14-12-19(13-15-20)30-25(32)21-10-5-6-11-22(21)28/h2-6,8-15,29H,7,16-17H2,1H3,(H,30,32)

InChI Key

CRULZRGBSQTYTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496957

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.02

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

4.572

Distribution Coefficient, logD

4.571

Water Solubility, LogSw

-4.56

Polar Surface Area

70.286

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

V026-5451 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V026-5451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5451?
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What is the minimum amount of V026-5451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5451
  • 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 V026-5451 available by request