8017-7895 Screening compound: 2-(3-chloro-2-methylanilino)-2-oxoethyl 2,3-di(2-furyl)-6-quinoxalinecarboxylate

8017-7895 Screening compound: 2-(3-chloro-2-methylanilino)-2-oxoethyl 2,3-di(2-furyl)-6-quinoxalinecarboxylate
8017-7895 Screening compound: 2-(3-chloro-2-methylanilino)-2-oxoethyl 2,3-di(2-furyl)-6-quinoxalinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7895
2-(3-chloro-2-methylanilino)-2-oxoethyl 2,3-di(2-furyl)-6-quinoxalinecarboxylate

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

8017-7895

Molecular Formula

C26H18ClN3O5 (C26 H18 ClN3 O5)

Compound Name

2-(3-chloro-2-methylanilino)-2-oxoethyl 2,3-di(2-furyl)-6-quinoxalinecarboxylate

IUPAC name

[(3-chloro-2-methylphenyl)carbamoyl]methyl 23-bis(furan-2-yl)quinoxaline-6-carboxylate

SMILES

Cc(c(NC(COC(c1cc2nc(-c3ccco3)c(-c3ccco3)nc2cc1)=O)=O)ccc1)c1Cl

InChI

InChI=1S/C26H18ClN3O5/c1-15-17(27)5-2-6-18(15)28-23(31)14-35-26(32)16-9-10-19-20(13-16)30-25(22-8-4-12-34-22)24(29-19)21-7-3-11-33-21/h2-13H,14H2,1H3,(H,28,31)

InChI Key

IHVHSIQRNHNALW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.367

Distribution Coefficient, logD

5.367

Water Solubility, LogSw

-5.99

Polar Surface Area

78.635

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

References: we are preparing a list of scientific research reports with 8017-7895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7895?
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What is the minimum amount of 8017-7895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7895
  • 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 8017-7895 available by request