E475-0048 Screening compound: 3-(4-benzylpiperidine-1-carbonyl)-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

E475-0048 Screening compound: 3-(4-benzylpiperidine-1-carbonyl)-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one
E475-0048 Screening compound: 3-(4-benzylpiperidine-1-carbonyl)-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E475-0048
3-(4-benzylpiperidine-1-carbonyl)-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

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

E475-0048

Molecular Formula

C25H27N3O2 (C25 H27 N3 O2)

Compound Name

3-(4-benzylpiperidine-1-carbonyl)-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

IUPAC name

3-(4-benzylpiperidine-1-carbonyl)-6H7H8H9H11H-pyrido[21-b]quinazolin-11-one

SMILES

O=C(c(cc1)cc(N=C2N3CCCC2)c1C3=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C25H27N3O2/c29-24(27-14-11-19(12-15-27)16-18-6-2-1-3-7-18)20-9-10-21-22(17-20)26-23-8-4-5-13-28(23)25(21)30/h1-3,6-7,9-10,17,19H,4-5,8,11-16H2

InChI Key

XQOOXMKBFPCWMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.254

Distribution Coefficient, logD

3.253

Water Solubility, LogSw

-3.67

Polar Surface Area

42.765

Acid Dissociation Constant (pKa)

20.57

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E475-0048 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E475-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E475-0048?
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What is the minimum amount of E475-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E475-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E475-0048
  • 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 E475-0048 available by request