C865-0095 Screening compound: N'-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}-N'-[3-(trifluoromethyl)phenyl]propanediamide

C865-0095 Screening compound: N'-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}-N'-[3-(trifluoromethyl)phenyl]propanediamide
C865-0095 Screening compound: N'-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}-N'-[3-(trifluoromethyl)phenyl]propanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C865-0095
N'-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}-N'-[3-(trifluoromethyl)phenyl]propanediamide

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

C865-0095

Molecular Formula

C24H23F3N4O3 (C24 H23 F3 N4 O3)

Compound Name

N'-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}-N'-[3-(trifluoromethyl)phenyl]propanediamide

IUPAC name

N'-methyl-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}-N'-[3-(trifluoromethyl)phenyl]propanediamide

SMILES

CN(C(CC(Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O)=O)=O)c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C24H23F3N4O3/c1-30(17-7-5-6-15(12-17)24(25,26)27)22(33)14-21(32)28-16-9-10-19-18(13-16)23(34)31-11-4-2-3-8-20(31)29-19/h5-7,9-10,12-13H,2-4,8,11,14H2,1H3,(H,28,32)

InChI Key

HBVDTOBCSOFTKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.47

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

2.969

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.61

Polar Surface Area

64.711

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C865-0095 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 C865-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C865-0095?
Check Price and Availability of C865-0095, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C865-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C865-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C865-0095
  • 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 C865-0095 available by request