C066-3609 Screening compound: N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide

C066-3609 Screening compound: N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide
C066-3609 Screening compound: N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3609
N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide

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

C066-3609

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide

IUPAC name

N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazoline-3-carboxamide

SMILES

CCCCN(CCNC(c(cc1)cc(N=C2N3CCCCC2)c1C3=O)=O)Cc1ccco1

InChI

InChI=1S/C25H32N4O3/c1-2-3-13-28(18-20-8-7-16-32-20)15-12-26-24(30)19-10-11-21-22(17-19)27-23-9-5-4-6-14-29(23)25(21)31/h7-8,10-11,16-17H,2-6,9,12-15,18H2,1H3,(H,26,30)

InChI Key

UPKQVZVAQWMNPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.045

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.46

Polar Surface Area

62.663

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C066-3609 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 C066-3609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3609?
Check Price and Availability of C066-3609, 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 C066-3609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3609
  • 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 C066-3609 available by request