C301-1627 Screening compound: (2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-N-[(2-chlorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C301-1627 Screening compound: (2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-N-[(2-chlorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
C301-1627 Screening compound: (2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-N-[(2-chlorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-1627
(2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-N-[(2-chlorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

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

C301-1627

Molecular Formula

C24H17Cl2N3O3 (C24 H17 Cl2 N3 O3)

Compound Name

(2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-N-[(2-chlorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

IUPAC name

(2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-N-[(2-chlorophenyl)methyl]-3-oxo-1234-tetrahydroquinoxaline-6-carboxamide

SMILES

O=C(/C=C1\Nc(ccc(C(NCc(cccc2)c2Cl)=O)c2)c2NC1=O)c(cc1)ccc1Cl

InChI

InChI=1S/C24H17Cl2N3O3/c25-17-8-5-14(6-9-17)22(30)12-21-24(32)29-20-11-15(7-10-19(20)28-21)23(31)27-13-16-3-1-2-4-18(16)26/h1-12,28H,13H2,(H,27,31)(H,29,32)

InChI Key

QKVFKMAIWFLALL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.886

Distribution Coefficient, logD

4.749

Water Solubility, LogSw

-5.12

Polar Surface Area

73.764

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

C301-1627 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 C301-1627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-1627?
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What is the minimum amount of C301-1627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-1627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-1627
  • 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 C301-1627 available by request