C865-0029 Screening compound: 3-(4-METHYLPIPERIDIN-1-YL)-3-OXO-N-{12-OXO-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLIN-2-YL}PROPANAMIDE

C865-0029 Screening compound: 3-(4-METHYLPIPERIDIN-1-YL)-3-OXO-N-{12-OXO-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLIN-2-YL}PROPANAMIDE
C865-0029 Screening compound: 3-(4-METHYLPIPERIDIN-1-YL)-3-OXO-N-{12-OXO-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLIN-2-YL}PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C865-0029
3-(4-METHYLPIPERIDIN-1-YL)-3-OXO-N-{12-OXO-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLIN-2-YL}PROPANAMIDE

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

C865-0029

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

3-(4-METHYLPIPERIDIN-1-YL)-3-OXO-N-{12-OXO-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLIN-2-YL}PROPANAMIDE

IUPAC name

n/a

SMILES

CC(CC1)CCN1C(CC(Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O)=O)=O

InChI

InChI=1S/C22H28N4O3/c1-15-8-11-25(12-9-15)21(28)14-20(27)23-16-6-7-18-17(13-16)22(29)26-10-4-2-3-5-19(26)24-18/h6-7,13,15H,2-5,8-12,14H2,1H3,(H,23,27)

InChI Key

GSIJLPCKBFPQLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

1.935

Water Solubility, LogSw

-2.90

Polar Surface Area

65.990

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

C865-0029 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C865-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C865-0029?
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What is the minimum amount of C865-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C865-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C865-0029
  • 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 C865-0029 available by request