C431-0078 Screening compound: 4-[(3,4-dimethylphenyl)amino]-6,7-dimethoxy-1,2-dihydroquinazoline-2-thione

C431-0078 Screening compound: 4-[(3,4-dimethylphenyl)amino]-6,7-dimethoxy-1,2-dihydroquinazoline-2-thione
C431-0078 Screening compound: 4-[(3,4-dimethylphenyl)amino]-6,7-dimethoxy-1,2-dihydroquinazoline-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C431-0078
4-[(3,4-dimethylphenyl)amino]-6,7-dimethoxy-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

C431-0078

Molecular Formula

C18H19N3O2S (C18 H19 N3 O2 S)

Compound Name

4-[(3,4-dimethylphenyl)amino]-6,7-dimethoxy-1,2-dihydroquinazoline-2-thione

IUPAC name

4-[(34-dimethylphenyl)amino]-67-dimethoxy-12-dihydroquinazoline-2-thione

SMILES

Cc(cc1)c(C)cc1NC(c(cc(c(OC)c1)OC)c1N1)=NC1=S

InChI

InChI=1S/C18H19N3O2S/c1-10-5-6-12(7-11(10)2)19-17-13-8-15(22-3)16(23-4)9-14(13)20-18(24)21-17/h5-9H,1-4H3,(H2,19,20,21,24)

InChI Key

ZOIMFIZZMJZRTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.950

Distribution Coefficient, logD

2.459

Water Solubility, LogSw

-4.13

Polar Surface Area

45.001

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C431-0078 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C431-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C431-0078?
Check Price and Availability of C431-0078, 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 C431-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C431-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C431-0078
  • 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 C431-0078 available by request