2187-1139 Screening compound: 3-(5-bromo-2-hydroxyphenyl)-2,5-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

2187-1139 Screening compound: 3-(5-bromo-2-hydroxyphenyl)-2,5-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
2187-1139 Screening compound: 3-(5-bromo-2-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 2187-1139
3-(5-bromo-2-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

2187-1139

Molecular Formula

C23H17BrN2O4 (C23 H17 BrN2 O4)

Compound Name

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

IUPAC name

3-(5-bromo-2-hydroxyphenyl)-25-diphenyl-hexahydro-2H-pyrrolo[34-d][12]oxazole-46-dione

SMILES

Oc(cc1)c(C(C2C(N3c4ccccc4)=O)N(c4ccccc4)OC2C3=O)cc1Br

InChI

InChI=1S/C23H17BrN2O4/c24-14-11-12-18(27)17(13-14)20-19-21(30-26(20)16-9-5-2-6-10-16)23(29)25(22(19)28)15-7-3-1-4-8-15/h1-13,19-21,27H

InChI Key

CTSDDQDYGXRWQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00709413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.3

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

3.587

Distribution Coefficient, logD

3.586

Water Solubility, LogSw

-3.42

Polar Surface Area

60.182

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

13.00

2187-1139 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2187-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-1139?
Check Price and Availability of 2187-1139, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2187-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-1139
  • 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 2187-1139 available by request