E971-0141 Screening compound: 4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline

E971-0141 Screening compound: 4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline
E971-0141 Screening compound: 4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E971-0141
4-{[(2,5-dimethylphenyl)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

E971-0141

Molecular Formula

C19H22N2S (C19 H22 N2 S)

Compound Name

4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline

IUPAC name

4-{[(25-dimethylphenyl)methyl]sulfanyl}-22-dimethyl-12-dihydroquinazoline

SMILES

CC(C)(Nc1c2cccc1)N=C2SCc1c(C)ccc(C)c1

InChI

InChI=1S/C19H22N2S/c1-13-9-10-14(2)15(11-13)12-22-18-16-7-5-6-8-17(16)20-19(3,4)21-18/h5-11,20H,12H2,1-4H3

InChI Key

HDUNEJQADFBIFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.46

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

5.431

Distribution Coefficient, logD

5.431

Water Solubility, LogSw

-5.61

Polar Surface Area

18.526

Acid Dissociation Constant (pKa)

18.57

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

E971-0141 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

CNS targets activity set (6557 compounds)

Akt-Targeted Library (14764 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E971-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E971-0141?
Check Price and Availability of E971-0141, 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 E971-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E971-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E971-0141
  • 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 E971-0141 available by request