C301-0727 Screening compound: (3Z)-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

C301-0727 Screening compound: (3Z)-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one
C301-0727 Screening compound: (3Z)-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0727
(3Z)-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

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

C301-0727

Molecular Formula

C27H25N5O4 (C27 H25 N5 O4)

Compound Name

(3Z)-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

(3Z)-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1234-tetrahydroquinoxalin-2-one

SMILES

COc1cccc(C(/C=C2\Nc(ccc(C(N(CC3)CCN3c3ncccc3)=O)c3)c3NC2=O)=O)c1

InChI

InChI=1S/C27H25N5O4/c1-36-20-6-4-5-18(15-20)24(33)17-23-26(34)30-22-16-19(8-9-21(22)29-23)27(35)32-13-11-31(12-14-32)25-7-2-3-10-28-25/h2-10,15-17,29H,11-14H2,1H3,(H,30,34)

InChI Key

DFNBOCWGGZSSRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.58

Polar Surface Area

85.314

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C301-0727 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0727?
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What is the minimum amount of C301-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0727
  • 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 C301-0727 available by request