C909-0191 Screening compound: 2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide

C909-0191 Screening compound: 2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide
C909-0191 Screening compound: 2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0191
2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide

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

C909-0191

Molecular Formula

C23H22N4O3 (C23 H22 N4 O3)

Compound Name

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

IUPAC name

2-(23-dihydro-1H-indol-1-yl)-2-oxo-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}acetamide

SMILES

O=C(C(N(CC1)c2c1cccc2)=O)Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O

InChI

InChI=1S/C23H22N4O3/c28-21(23(30)26-13-11-15-6-3-4-7-19(15)26)24-16-9-10-18-17(14-16)22(29)27-12-5-1-2-8-20(27)25-18/h3-4,6-7,9-10,14H,1-2,5,8,11-13H2,(H,24,28)

InChI Key

YBGJWHHECJDXEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.575

Distribution Coefficient, logD

2.569

Water Solubility, LogSw

-3.30

Polar Surface Area

65.761

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C909-0191 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C909-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0191?
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What is the minimum amount of C909-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0191
  • 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 C909-0191 available by request