5645-0457 Screening compound: 2-[(4,7-dimethyl-2-quinazolinyl)amino]-7,8-dihydro-5(6H)-quinazolinone

5645-0457 Screening compound: 2-[(4,7-dimethyl-2-quinazolinyl)amino]-7,8-dihydro-5(6H)-quinazolinone
5645-0457 Screening compound: 2-[(4,7-dimethyl-2-quinazolinyl)amino]-7,8-dihydro-5(6H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0457
2-[(4,7-dimethyl-2-quinazolinyl)amino]-7,8-dihydro-5(6H)-quinazolinone

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

5645-0457

Molecular Formula

C18H17N5O (C18 H17 N5 O)

Compound Name

2-[(4,7-dimethyl-2-quinazolinyl)amino]-7,8-dihydro-5(6H)-quinazolinone

IUPAC name

2-[(47-dimethylquinazolin-2-yl)amino]-5678-tetrahydroquinazolin-5-one

SMILES

Cc1ccc(c(C)nc(Nc(nc2)nc(CCC3)c2C3=O)n2)c2c1

InChI

InChI=1S/C18H17N5O/c1-10-6-7-12-11(2)20-18(22-15(12)8-10)23-17-19-9-13-14(21-17)4-3-5-16(13)24/h6-9H,3-5H2,1-2H3,(H,19,20,21,22,23)

InChI Key

XQMRAENSVNKCAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03490287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.717

Water Solubility, LogSw

-4.01

Polar Surface Area

64.045

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

5645-0457 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5645-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0457?
Check Price and Availability of 5645-0457, 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 5645-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0457
  • 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 5645-0457 available by request