6809-0257 Screening compound: 6-chloro-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-4-phenylquinazolin-2-amine

6809-0257 Screening compound: 6-chloro-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-4-phenylquinazolin-2-amine
6809-0257 Screening compound: 6-chloro-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-4-phenylquinazolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6809-0257
6-chloro-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-4-phenylquinazolin-2-amine

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

6809-0257

Molecular Formula

C23H20ClN5 (C23 H20 ClN5)

Compound Name

6-chloro-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-4-phenylquinazolin-2-amine

IUPAC name

6-chloro-N-(4-methyl-5678-tetrahydroquinazolin-2-yl)-4-phenylquinazolin-2-amine

SMILES

Cc1nc(Nc2nc(-c3ccccc3)c(cc(cc3)Cl)c3n2)nc2c1CCCC2

InChI

InChI=1S/C23H20ClN5/c1-14-17-9-5-6-10-19(17)26-22(25-14)29-23-27-20-12-11-16(24)13-18(20)21(28-23)15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,25,26,27,28,29)

InChI Key

LKMOFVSWUZQEQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04193748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.513

Distribution Coefficient, logD

5.923

Water Solubility, LogSw

-6.37

Polar Surface Area

50.774

Acid Dissociation Constant (pKa)

17.73

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

6809-0257 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6809-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6809-0257?
Check Price and Availability of 6809-0257, 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 6809-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6809-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6809-0257
  • 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 6809-0257 available by request