C066-3566 Screening compound: 12-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide

C066-3566 Screening compound: 12-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide
C066-3566 Screening compound: 12-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3566
12-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-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

C066-3566

Molecular Formula

C27H33N5O2 (C27 H33 N5 O2)

Compound Name

12-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide

IUPAC name

12-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6H7H8H9H10H12H-azepino[21-b]quinazoline-3-carboxamide

SMILES

O=C(c(cc1)cc(N=C2N3CCCCC2)c1C3=O)NCCCN(CC1)CCN1c1ccccc1

InChI

InChI=1S/C27H33N5O2/c33-26(28-13-7-14-30-16-18-31(19-17-30)22-8-3-1-4-9-22)21-11-12-23-24(20-21)29-25-10-5-2-6-15-32(25)27(23)34/h1,3-4,8-9,11-12,20H,2,5-7,10,13-19H2,(H,28,33)

InChI Key

DDCGEQKUELLFLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.374

Distribution Coefficient, logD

1.830

Water Solubility, LogSw

-3.18

Polar Surface Area

58.217

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with C066-3566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3566?
Check Price and Availability of C066-3566, 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 C066-3566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3566
  • 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 C066-3566 available by request