C909-0014 Screening compound: N'-(3-chloro-4-methoxyphenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}ethanediamide

C909-0014 Screening compound: N'-(3-chloro-4-methoxyphenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}ethanediamide
C909-0014 Screening compound: N'-(3-chloro-4-methoxyphenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0014
N'-(3-chloro-4-methoxyphenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}ethanediamide

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

C909-0014

Molecular Formula

C22H21ClN4O4 (C22 H21 ClN4 O4)

Compound Name

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

IUPAC name

N'-(3-chloro-4-methoxyphenyl)-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}ethanediamide

SMILES

COc(ccc(NC(C(Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C22H21ClN4O4/c1-31-18-9-7-14(12-16(18)23)25-21(29)20(28)24-13-6-8-17-15(11-13)22(30)27-10-4-2-3-5-19(27)26-17/h6-9,11-12H,2-5,10H2,1H3,(H,24,28)(H,25,29)

InChI Key

BZTHJJTWKHJJDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

2.537

Water Solubility, LogSw

-3.60

Polar Surface Area

80.804

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C909-0014 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C909-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0014?
Check Price and Availability of C909-0014, 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 C909-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0014
  • 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 C909-0014 available by request