C909-0238 Screening compound: N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}ethanediamide

C909-0238 Screening compound: N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}ethanediamide
C909-0238 Screening compound: N'-[2-(2,5-dimethoxyphenyl)ethyl]-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 C909-0238
N'-[2-(2,5-dimethoxyphenyl)ethyl]-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

C909-0238

Molecular Formula

C25H28N4O5 (C25 H28 N4 O5)

Compound Name

N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}ethanediamide

IUPAC name

N'-[2-(25-dimethoxyphenyl)ethyl]-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}ethanediamide

SMILES

COc(cc1)cc(CCNC(C(Nc(cc2)cc3c2N=C(CCCCC2)N2C3=O)=O)=O)c1OC

InChI

InChI=1S/C25H28N4O5/c1-33-18-8-10-21(34-2)16(14-18)11-12-26-23(30)24(31)27-17-7-9-20-19(15-17)25(32)29-13-5-3-4-6-22(29)28-20/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,26,30)(H,27,31)

InChI Key

RETPTMJGRPSZDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.148

Water Solubility, LogSw

-3.15

Polar Surface Area

89.512

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C909-0238 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C909-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0238?
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What is the minimum amount of C909-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0238
  • 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 C909-0238 available by request