7287-0529 Screening compound: ethyl 4-(3-{[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate

7287-0529 Screening compound: ethyl 4-(3-{[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
7287-0529 Screening compound: ethyl 4-(3-{[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7287-0529
ethyl 4-(3-{[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate

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

7287-0529

Molecular Formula

C21H17N3O6S (C21 H17 N3 O6 S)

Compound Name

ethyl 4-(3-{[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate

IUPAC name

ethyl 4-(3-{[5-(2-hydroxyphenyl)-134-oxadiazol-2-yl]sulfanyl}-25-dioxopyrrolidin-1-yl)benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1Sc2nnc(-c(cccc3)c3O)o2)=O)C1=O)=O

InChI

InChI=1S/C21H17N3O6S/c1-2-29-20(28)12-7-9-13(10-8-12)24-17(26)11-16(19(24)27)31-21-23-22-18(30-21)14-5-3-4-6-15(14)25/h3-10,16,25H,2,11H2,1H3/t16-/m0/s1

InChI Key

DOIQLQNYNDXUAT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05826911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.021

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-3.16

Polar Surface Area

96.557

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

7287-0529 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 7287-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7287-0529?
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What is the minimum amount of 7287-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7287-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7287-0529
  • 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 7287-0529 available by request