1326-1991 Screening compound: N-(2-benzoyl-4-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)-2-bromobenzamide

1326-1991 Screening compound: N-(2-benzoyl-4-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)-2-bromobenzamide
1326-1991 Screening compound: N-(2-benzoyl-4-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)-2-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1326-1991
N-(2-benzoyl-4-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)-2-bromobenzamide

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

1326-1991

Molecular Formula

C28H15Br2NO4 (C28 H15 Br2 NO4)

Compound Name

N-(2-benzoyl-4-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)-2-bromobenzamide

IUPAC name

N-(2-benzoyl-4-bromo-910-dioxo-910-dihydroanthracen-1-yl)-2-bromobenzamide

SMILES

O=C(c1ccccc1)c(c(NC(c(cccc1)c1Br)=O)c1C(c2c3cccc2)=O)cc(Br)c1C3=O

InChI

InChI=1S/C28H15Br2NO4/c29-20-13-7-6-12-18(20)28(35)31-24-19(25(32)15-8-2-1-3-9-15)14-21(30)22-23(24)27(34)17-11-5-4-10-16(17)26(22)33/h1-14H,(H,31,35)

InChI Key

WGLMWOVGLOCEEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00997431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.207

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-6.05

Polar Surface Area

61.343

Acid Dissociation Constant (pKa)

4.37

Base Dissociation Constant (pKb)

-11.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1326-1991 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1326-1991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1326-1991?
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What is the minimum amount of 1326-1991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1326-1991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1326-1991
  • 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 1326-1991 available by request