C849-0531 Screening compound: 12-oxo-N-(4-phenylbutan-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide

C849-0531 Screening compound: 12-oxo-N-(4-phenylbutan-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide
C849-0531 Screening compound: 12-oxo-N-(4-phenylbutan-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C849-0531
12-oxo-N-(4-phenylbutan-2-yl)-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

C849-0531

Molecular Formula

C24H27N3O2 (C24 H27 N3 O2)

Compound Name

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

IUPAC name

12-oxo-N-(4-phenylbutan-2-yl)-6H7H8H9H10H12H-azepino[21-b]quinazoline-3-carboxamide

SMILES

CC(CCc1ccccc1)NC(c(cc1)cc(N=C2N3CCCCC2)c1C3=O)=O

InChI

InChI=1S/C24H27N3O2/c1-17(11-12-18-8-4-2-5-9-18)25-23(28)19-13-14-20-21(16-19)26-22-10-6-3-7-15-27(22)24(20)29/h2,4-5,8-9,13-14,16-17H,3,6-7,10-12,15H2,1H3,(H,25,28)/t17-/m0/s1

InChI Key

UIRIYEYZMRPHSY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14800336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.206

Distribution Coefficient, logD

3.206

Water Solubility, LogSw

-3.64

Polar Surface Area

50.575

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C849-0531 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C849-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C849-0531?
Check Price and Availability of C849-0531, 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 C849-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C849-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C849-0531
  • 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 C849-0531 available by request