3456-1653 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-4,6,7-trimethylquinazoline

3456-1653 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-4,6,7-trimethylquinazoline
3456-1653 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-4,6,7-trimethylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-1653
2-{[(4-chlorophenyl)methyl]sulfanyl}-4,6,7-trimethylquinazoline

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

3456-1653

Molecular Formula

C18H17ClN2S (C18 H17 ClN2 S)

Compound Name

2-{[(4-chlorophenyl)methyl]sulfanyl}-4,6,7-trimethylquinazoline

IUPAC name

2-{[(4-chlorophenyl)methyl]sulfanyl}-467-trimethylquinazoline

SMILES

Cc(cc1c(C)n2)c(C)cc1nc2SCc(cc1)ccc1Cl

InChI

InChI=1S/C18H17ClN2S/c1-11-8-16-13(3)20-18(21-17(16)9-12(11)2)22-10-14-4-6-15(19)7-5-14/h4-9H,10H2,1-3H3

InChI Key

SELUOVBXRXFYHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01959437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.808

Distribution Coefficient, logD

5.808

Water Solubility, LogSw

-6.18

Polar Surface Area

17.552

Acid Dissociation Constant (pKa)

21.61

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3456-1653 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3456-1653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-1653?
Check Price and Availability of 3456-1653, 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 3456-1653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-1653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-1653
  • 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 3456-1653 available by request