E475-0235 Screening compound: 3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

E475-0235 Screening compound: 3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one
E475-0235 Screening compound: 3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E475-0235
3-(1,2,3,4-tetrahydroisoquinoline-2-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

E475-0235

Molecular Formula

C22H21N3O2 (C22 H21 N3 O2)

Compound Name

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

IUPAC name

3-(1234-tetrahydroisoquinoline-2-carbonyl)-6H7H8H9H11H-pyrido[21-b]quinazolin-11-one

SMILES

O=C(c(cc1)cc(N=C2N3CCCC2)c1C3=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C22H21N3O2/c26-21(24-12-10-15-5-1-2-6-17(15)14-24)16-8-9-18-19(13-16)23-20-7-3-4-11-25(20)22(18)27/h1-2,5-6,8-9,13H,3-4,7,10-12,14H2

InChI Key

YLRRNENUJLTLFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.152

Distribution Coefficient, logD

2.152

Water Solubility, LogSw

-3.02

Polar Surface Area

42.699

Acid Dissociation Constant (pKa)

20.57

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E475-0235 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E475-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E475-0235?
Check Price and Availability of E475-0235, 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 E475-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E475-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E475-0235
  • 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 E475-0235 available by request