1683-6547 Screening compound: 2,3-bis(benzoyloxy)-3-[(4-chlorophenyl)carbamoyl]propanoic acid

1683-6547 Screening compound: 2,3-bis(benzoyloxy)-3-[(4-chlorophenyl)carbamoyl]propanoic acid
1683-6547 Screening compound: 2,3-bis(benzoyloxy)-3-[(4-chlorophenyl)carbamoyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6547
2,3-bis(benzoyloxy)-3-[(4-chlorophenyl)carbamoyl]propanoic acid

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

1683-6547

Molecular Formula

C24H18ClNO7 (C24 H18 ClNO7)

Compound Name

2,3-bis(benzoyloxy)-3-[(4-chlorophenyl)carbamoyl]propanoic acid

IUPAC name

23-bis(benzoyloxy)-3-[(4-chlorophenyl)carbamoyl]propanoic acid

SMILES

OC(C(C(C(Nc(cc1)ccc1Cl)=O)OC(c1ccccc1)=O)OC(c1ccccc1)=O)=O

InChI

InChI=1S/C24H18ClNO7/c25-17-11-13-18(14-12-17)26-21(27)19(32-23(30)15-7-3-1-4-8-15)20(22(28)29)33-24(31)16-9-5-2-6-10-16/h1-14,19-20H,(H,26,27)(H,28,29)

InChI Key

HFGXHQKOJOFFOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00790259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.86

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

-0.307

Water Solubility, LogSw

-4.19

Polar Surface Area

92.277

Acid Dissociation Constant (pKa)

3.38

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

8.30

1683-6547 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1683-6547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6547?
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What is the minimum amount of 1683-6547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6547
  • 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 1683-6547 available by request