C909-0198 Screening compound: N-[2-(dimethylamino)ethyl]-N-ethyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide

C909-0198 Screening compound: N-[2-(dimethylamino)ethyl]-N-ethyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
C909-0198 Screening compound: N-[2-(dimethylamino)ethyl]-N-ethyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0198
N-[2-(dimethylamino)ethyl]-N-ethyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[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

C909-0198

Molecular Formula

C21H29N5O3 (C21 H29 N5 O3)

Compound Name

N-[2-(dimethylamino)ethyl]-N-ethyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide

IUPAC name

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

SMILES

CCN(CCN(C)C)C(C(Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O)=O)=O

InChI

InChI=1S/C21H29N5O3/c1-4-25(13-12-24(2)3)21(29)19(27)22-15-9-10-17-16(14-15)20(28)26-11-7-5-6-8-18(26)23-17/h9-10,14H,4-8,11-13H2,1-3H3,(H,22,27)

InChI Key

AFTKZIDPDRIRGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.287

Distribution Coefficient, logD

1.287

Water Solubility, LogSw

-2.47

Polar Surface Area

70.134

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

C909-0198 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 C909-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0198?
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What is the minimum amount of C909-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0198
  • 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 C909-0198 available by request