E475-0236 Screening compound: ethyl 4-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-amido}benzoate

E475-0236 Screening compound: ethyl 4-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-amido}benzoate
E475-0236 Screening compound: ethyl 4-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E475-0236
ethyl 4-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-amido}benzoate

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

E475-0236

Molecular Formula

C22H21N3O4 (C22 H21 N3 O4)

Compound Name

ethyl 4-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-amido}benzoate

IUPAC name

ethyl 4-{11-oxo-6H7H8H9H11H-pyrido[21-b]quinazoline-3-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)cc(N=C2N3CCCC2)c1C3=O)=O)=O

InChI

InChI=1S/C22H21N3O4/c1-2-29-22(28)14-6-9-16(10-7-14)23-20(26)15-8-11-17-18(13-15)24-19-5-3-4-12-25(19)21(17)27/h6-11,13H,2-5,12H2,1H3,(H,23,26)

InChI Key

YBSXQQNFEZWADF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.887

Distribution Coefficient, logD

2.881

Water Solubility, LogSw

-3.58

Polar Surface Area

70.234

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E475-0236 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E475-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E475-0236?
Check Price and Availability of E475-0236, 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 E475-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E475-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E475-0236
  • 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 E475-0236 available by request