E971-0064 Screening compound: 4-{[(2-chlorophenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline

E971-0064 Screening compound: 4-{[(2-chlorophenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline
E971-0064 Screening compound: 4-{[(2-chlorophenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E971-0064
4-{[(2-chlorophenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline

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

E971-0064

Molecular Formula

C17H17ClN2S (C17 H17 ClN2 S)

Compound Name

4-{[(2-chlorophenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline

IUPAC name

4-{[(2-chlorophenyl)methyl]sulfanyl}-22-dimethyl-12-dihydroquinazoline

SMILES

CC(C)(Nc1c2cccc1)N=C2SCc(cccc1)c1Cl

InChI

InChI=1S/C17H17ClN2S/c1-17(2)19-15-10-6-4-8-13(15)16(20-17)21-11-12-7-3-5-9-14(12)18/h3-10,19H,11H2,1-2H3

InChI Key

YWXMKIRPXBNCFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.862

Distribution Coefficient, logD

4.862

Water Solubility, LogSw

-4.97

Polar Surface Area

18.526

Acid Dissociation Constant (pKa)

18.57

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

E971-0064 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E971-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E971-0064?
Check Price and Availability of E971-0064, 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 E971-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E971-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E971-0064
  • 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 E971-0064 available by request