8013-2567 Screening compound: 3-(4-hydroxyphenyl)-2,5-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

8013-2567 Screening compound: 3-(4-hydroxyphenyl)-2,5-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
8013-2567 Screening compound: 3-(4-hydroxyphenyl)-2,5-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2567
3-(4-hydroxyphenyl)-2,5-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

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

8013-2567

Molecular Formula

C23H18N2O4 (C23 H18 N2 O4)

Compound Name

3-(4-hydroxyphenyl)-2,5-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

IUPAC name

3-(4-hydroxyphenyl)-25-diphenyl-hexahydro-2H-pyrrolo[34-d][12]oxazole-46-dione

SMILES

Oc1ccc(C(C2C(N3c4ccccc4)=O)N(c4ccccc4)OC2C3=O)cc1

InChI

InChI=1S/C23H18N2O4/c26-18-13-11-15(12-14-18)20-19-21(29-25(20)17-9-5-2-6-10-17)23(28)24(22(19)27)16-7-3-1-4-8-16/h1-14,19-21,26H

InChI Key

QKTFXYYTRSOINQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03681514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.463

Distribution Coefficient, logD

2.460

Water Solubility, LogSw

-2.50

Polar Surface Area

61.251

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

13.04

8013-2567 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8013-2567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2567?
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What is the minimum amount of 8013-2567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2567
  • 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 8013-2567 available by request