1188-0022 Screening compound: 5-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

1188-0022 Screening compound: 5-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
1188-0022 Screening compound: 5-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1188-0022
5-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-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

1188-0022

Molecular Formula

C24H19ClN2O4 (C24 H19 ClN2 O4)

Compound Name

5-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

IUPAC name

5-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-hexahydro-2H-pyrrolo[34-d][12]oxazole-46-dione

SMILES

COc1ccc(C(C2C(N3c(cccc4)c4Cl)=O)N(c4ccccc4)OC2C3=O)cc1

InChI

InChI=1S/C24H19ClN2O4/c1-30-17-13-11-15(12-14-17)21-20-22(31-27(21)16-7-3-2-4-8-16)24(29)26(23(20)28)19-10-6-5-9-18(19)25/h2-14,20-22H,1H3

InChI Key

KHWAVBYANPTJJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00711862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.675

Distribution Coefficient, logD

3.675

Water Solubility, LogSw

-4.18

Polar Surface Area

50.876

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

16.70

1188-0022 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 1188-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1188-0022?
Check Price and Availability of 1188-0022, 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 1188-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1188-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1188-0022
  • 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 1188-0022 available by request