0711-0204 Screening compound: 4-{2-[4-(benzoyloxy)-3,5-dichlorophenyl]propan-2-yl}-2,6-dichlorophenyl benzoate

0711-0204 Screening compound: 4-{2-[4-(benzoyloxy)-3,5-dichlorophenyl]propan-2-yl}-2,6-dichlorophenyl benzoate
0711-0204 Screening compound: 4-{2-[4-(benzoyloxy)-3,5-dichlorophenyl]propan-2-yl}-2,6-dichlorophenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0711-0204
4-{2-[4-(benzoyloxy)-3,5-dichlorophenyl]propan-2-yl}-2,6-dichlorophenyl benzoate

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

0711-0204

Molecular Formula

C29H20Cl4O4 (C29 H20 Cl4 O4)

Compound Name

4-{2-[4-(benzoyloxy)-3,5-dichlorophenyl]propan-2-yl}-2,6-dichlorophenyl benzoate

IUPAC name

4-{2-[4-(benzoyloxy)-35-dichlorophenyl]propan-2-yl}-26-dichlorophenyl benzoate

SMILES

CC(C)(c(cc1Cl)cc(Cl)c1OC(c1ccccc1)=O)c(cc1Cl)cc(Cl)c1OC(c1ccccc1)=O

InChI

InChI=1S/C29H20Cl4O4/c1-29(2,19-13-21(30)25(22(31)14-19)36-27(34)17-9-5-3-6-10-17)20-15-23(32)26(24(33)16-20)37-28(35)18-11-7-4-8-12-18/h3-16H,1-2H3

InChI Key

RFQKXJYGNZYUMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00183864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.916

Distribution Coefficient, logD

8.916

Water Solubility, LogSw

-6.58

Polar Surface Area

41.069

Acid Dissociation Constant (pKa)

28.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

0711-0204 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 0711-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0711-0204?
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What is the minimum amount of 0711-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0711-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0711-0204
  • 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 0711-0204 available by request