C865-0038 Screening compound: 3-(4-benzylpiperidin-1-yl)-3-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanamide

C865-0038 Screening compound: 3-(4-benzylpiperidin-1-yl)-3-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanamide
C865-0038 Screening compound: 3-(4-benzylpiperidin-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 C865-0038
3-(4-benzylpiperidin-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

C865-0038

Molecular Formula

C28H32N4O3 (C28 H32 N4 O3)

Compound Name

3-(4-benzylpiperidin-1-yl)-3-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanamide

IUPAC name

3-(4-benzylpiperidin-1-yl)-3-oxo-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}propanamide

SMILES

O=C(CC(N1CCC(Cc2ccccc2)CC1)=O)Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O

InChI

InChI=1S/C28H32N4O3/c33-26(19-27(34)31-15-12-21(13-16-31)17-20-7-3-1-4-8-20)29-22-10-11-24-23(18-22)28(35)32-14-6-2-5-9-25(32)30-24/h1,3-4,7-8,10-11,18,21H,2,5-6,9,12-17,19H2,(H,29,33)

InChI Key

BZUIDGAOBMZQMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.575

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-3.86

Polar Surface Area

65.718

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C865-0038 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C865-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C865-0038?
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What is the minimum amount of C865-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C865-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C865-0038
  • 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 C865-0038 available by request