0584-0322 Screening compound: 1,3-bis[2-(4-chlorophenyl)-2-oxoethyl] 1,2,2-trimethylcyclopentane-1,3-dicarboxylate

0584-0322 Screening compound: 1,3-bis[2-(4-chlorophenyl)-2-oxoethyl] 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
0584-0322 Screening compound: 1,3-bis[2-(4-chlorophenyl)-2-oxoethyl] 1,2,2-trimethylcyclopentane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0322
1,3-bis[2-(4-chlorophenyl)-2-oxoethyl] 1,2,2-trimethylcyclopentane-1,3-dicarboxylate

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

0584-0322

Molecular Formula

C26H26Cl2O6 (C26 H26 Cl2 O6)

Compound Name

1,3-bis[2-(4-chlorophenyl)-2-oxoethyl] 1,2,2-trimethylcyclopentane-1,3-dicarboxylate

IUPAC name

13-bis[2-(4-chlorophenyl)-2-oxoethyl] 122-trimethylcyclopentane-13-dicarboxylate

SMILES

CC(C)(C(CC1)C(OCC(c(cc2)ccc2Cl)=O)=O)C1(C)C(OCC(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C26H26Cl2O6/c1-25(2)20(23(31)33-14-21(29)16-4-8-18(27)9-5-16)12-13-26(25,3)24(32)34-15-22(30)17-6-10-19(28)11-7-17/h4-11,20H,12-15H2,1-3H3

InChI Key

WUWVKMRFEOKULA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00320981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.461

Distribution Coefficient, logD

5.461

Water Solubility, LogSw

-6.03

Polar Surface Area

69.006

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.50

0584-0322 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0584-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0322?
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What is the minimum amount of 0584-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0322
  • 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 0584-0322 available by request