V026-5498 Screening compound: N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide

V026-5498 Screening compound: N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
V026-5498 Screening compound: N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5498
N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide

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

V026-5498

Molecular Formula

C28H27N3O4S (C28 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(Nc(cc1)ccc1SC(C(N(CCCOC)C1=O)=O)=C1Nc1ccccc1)=O

InChI

InChI=1S/C28H27N3O4S/c1-19-9-11-20(12-10-19)26(32)30-22-13-15-23(16-14-22)36-25-24(29-21-7-4-3-5-8-21)27(33)31(28(25)34)17-6-18-35-2/h3-5,7-16,29H,6,17-18H2,1-2H3,(H,30,32)

InChI Key

DEVOZXATKJJULV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496996

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.61

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

4.540

Distribution Coefficient, logD

4.539

Water Solubility, LogSw

-4.19

Polar Surface Area

70.286

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with V026-5498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5498?
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What is the minimum amount of V026-5498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5498
  • 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 V026-5498 available by request