C431-0069 Screening compound: 6,7-dimethoxy-4-{[2-(4-methylphenyl)ethyl]amino}-1,2-dihydroquinazoline-2-thione

C431-0069 Screening compound: 6,7-dimethoxy-4-{[2-(4-methylphenyl)ethyl]amino}-1,2-dihydroquinazoline-2-thione
C431-0069 Screening compound: 6,7-dimethoxy-4-{[2-(4-methylphenyl)ethyl]amino}-1,2-dihydroquinazoline-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C431-0069
6,7-dimethoxy-4-{[2-(4-methylphenyl)ethyl]amino}-1,2-dihydroquinazoline-2-thione

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

C431-0069

Molecular Formula

C19H21N3O2S (C19 H21 N3 O2 S)

Compound Name

6,7-dimethoxy-4-{[2-(4-methylphenyl)ethyl]amino}-1,2-dihydroquinazoline-2-thione

IUPAC name

67-dimethoxy-4-{[2-(4-methylphenyl)ethyl]amino}-12-dihydroquinazoline-2-thione

SMILES

Cc1ccc(CCNC(c(cc(c(OC)c2)OC)c2N2)=NC2=S)cc1

InChI

InChI=1S/C19H21N3O2S/c1-12-4-6-13(7-5-12)8-9-20-18-14-10-16(23-2)17(24-3)11-15(14)21-19(25)22-18/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22,25)

InChI Key

VIORPVHNIUUNAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

1.038

Water Solubility, LogSw

-3.40

Polar Surface Area

46.164

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with C431-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C431-0069?
Check Price and Availability of C431-0069, 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 C431-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C431-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C431-0069
  • 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 C431-0069 available by request