C849-0525 Screening compound: N-(1-benzylpiperidin-4-yl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide

C849-0525 Screening compound: N-(1-benzylpiperidin-4-yl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide
C849-0525 Screening compound: N-(1-benzylpiperidin-4-yl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C849-0525
N-(1-benzylpiperidin-4-yl)-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

C849-0525

Molecular Formula

C26H30N4O2 (C26 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(N=C2N3CCCCC2)c1C3=O)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C26H30N4O2/c31-25(27-21-12-15-29(16-13-21)18-19-7-3-1-4-8-19)20-10-11-22-23(17-20)28-24-9-5-2-6-14-30(24)26(22)32/h1,3-4,7-8,10-11,17,21H,2,5-6,9,12-16,18H2,(H,27,31)

InChI Key

QOQCIYUVLDGLHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05264450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

1.239

Water Solubility, LogSw

-3.48

Polar Surface Area

54.399

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C849-0525 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C849-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C849-0525?
Check Price and Availability of C849-0525, 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 C849-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C849-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C849-0525
  • 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 C849-0525 available by request