0091-0033 Screening compound: (1,2-dihydroacenaphthylen-5-yl)({4-[4-(1,2-dihydroacenaphthylene-5-carbonyl)benzoyl]phenyl})methanone

0091-0033 Screening compound: (1,2-dihydroacenaphthylen-5-yl)({4-[4-(1,2-dihydroacenaphthylene-5-carbonyl)benzoyl]phenyl})methanone
0091-0033 Screening compound: (1,2-dihydroacenaphthylen-5-yl)({4-[4-(1,2-dihydroacenaphthylene-5-carbonyl)benzoyl]phenyl})methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0091-0033
(1,2-dihydroacenaphthylen-5-yl)({4-[4-(1,2-dihydroacenaphthylene-5-carbonyl)benzoyl]phenyl})methanone

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

0091-0033

Molecular Formula

C39H26O3 (C39 H26 O3)

Compound Name

(1,2-dihydroacenaphthylen-5-yl)({4-[4-(1,2-dihydroacenaphthylene-5-carbonyl)benzoyl]phenyl})methanone

IUPAC name

(12-dihydroacenaphthylen-5-yl)({4-[4-(12-dihydroacenaphthylene-5-carbonyl)benzoyl]phenyl})methanone

SMILES

O=C(c(cc1)ccc1C(c1ccc(CC2)c3c2cccc13)=O)c(cc1)ccc1C(c1ccc(CC2)c3c2cccc13)=O

InChI

InChI=1S/C39H26O3/c40-37(27-11-15-29(16-12-27)38(41)33-21-19-25-9-7-23-3-1-5-31(33)35(23)25)28-13-17-30(18-14-28)39(42)34-22-20-26-10-8-24-4-2-6-32(34)36(24)26/h1-6,11-22H,7-10H2

InChI Key

ZLARCYRBEXUYLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

9.781

Distribution Coefficient, logD

9.781

Water Solubility, LogSw

-6.76

Polar Surface Area

40.670

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

0091-0033 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0091-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0091-0033?
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What is the minimum amount of 0091-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0091-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0091-0033
  • 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 0091-0033 available by request