C201-1927 Screening compound: 3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2-thione

C201-1927 Screening compound: 3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2-thione
C201-1927 Screening compound: 3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1927
3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-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

C201-1927

Molecular Formula

C16H16N2S (C16 H16 N2 S)

Compound Name

3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2-thione

IUPAC name

3-[(4-methylphenyl)methyl]-1234-tetrahydroquinazoline-2-thione

SMILES

Cc1ccc(CN(Cc(cccc2)c2N2)C2=S)cc1

InChI

InChI=1S/C16H16N2S/c1-12-6-8-13(9-7-12)10-18-11-14-4-2-3-5-15(14)17-16(18)19/h2-9H,10-11H2,1H3,(H,17,19)

InChI Key

RBULEAPDWSXBAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.034

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-3.97

Polar Surface Area

14.711

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

-6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C201-1927 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C201-1927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1927?
Check Price and Availability of C201-1927, 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 C201-1927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1927
  • 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 C201-1927 available by request