8018-0034 Screening compound: 2,5-bis(3-bromophenyl)-3-(4-chlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione

8018-0034 Screening compound: 2,5-bis(3-bromophenyl)-3-(4-chlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
8018-0034 Screening compound: 2,5-bis(3-bromophenyl)-3-(4-chlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0034
2,5-bis(3-bromophenyl)-3-(4-chlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-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

8018-0034

Molecular Formula

C23H15Br2ClN2O3 (C23 H15 Br2 ClN2 O3)

Compound Name

2,5-bis(3-bromophenyl)-3-(4-chlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione

IUPAC name

25-bis(3-bromophenyl)-3-(4-chlorophenyl)-hexahydro-2H-pyrrolo[34-d][12]oxazole-46-dione

SMILES

O=C(C1C(c(cc2)ccc2Cl)N(c2cc(Br)ccc2)OC1C1=O)N1c1cccc(Br)c1

InChI

InChI=1S/C23H15Br2ClN2O3/c24-14-3-1-5-17(11-14)27-22(29)19-20(13-7-9-16(26)10-8-13)28(31-21(19)23(27)30)18-6-2-4-15(25)12-18/h1-12,19-21H

InChI Key

JBGPXVAJRGZCSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07021789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.477

Distribution Coefficient, logD

5.477

Water Solubility, LogSw

-6.30

Polar Surface Area

43.634

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-4.89

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

13.04

References: we are preparing a list of scientific research reports with 8018-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0034?
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What is the minimum amount of 8018-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0034
  • 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 8018-0034 available by request