3257-3185 Screening compound: 2-(2,5-dimethylphenyl)-2-oxoethyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate

3257-3185 Screening compound: 2-(2,5-dimethylphenyl)-2-oxoethyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate
3257-3185 Screening compound: 2-(2,5-dimethylphenyl)-2-oxoethyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-3185
2-(2,5-dimethylphenyl)-2-oxoethyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate

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

3257-3185

Molecular Formula

C29H20N2O3 (C29 H20 N2 O3)

Compound Name

2-(2,5-dimethylphenyl)-2-oxoethyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate

IUPAC name

2-(25-dimethylphenyl)-2-oxoethyl acenaphthyleno[12-b]quinoxaline-9-carboxylate

SMILES

Cc1cc(C(COC(c2cc3nc(-c4cccc5cccc-6c45)c6nc3cc2)=O)=O)c(C)cc1

InChI

InChI=1S/C29H20N2O3/c1-16-9-10-17(2)22(13-16)25(32)15-34-29(33)19-11-12-23-24(14-19)31-28-21-8-4-6-18-5-3-7-20(26(18)21)27(28)30-23/h3-14H,15H2,1-2H3

InChI Key

HVSMRQHRZJUDOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01885683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.088

Distribution Coefficient, logD

7.088

Water Solubility, LogSw

-6.93

Polar Surface Area

52.994

Acid Dissociation Constant (pKa)

22.42

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

3257-3185 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3257-3185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-3185?
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What is the minimum amount of 3257-3185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-3185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-3185
  • 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 3257-3185 available by request