E971-0099 Screening compound: 4-{[(4-fluorophenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline

E971-0099 Screening compound: 4-{[(4-fluorophenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline
E971-0099 Screening compound: 4-{[(4-fluorophenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E971-0099
4-{[(4-fluorophenyl)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

E971-0099

Molecular Formula

C17H17FN2S (C17 H17 FN2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(Nc1c2cccc1)N=C2SCc(cc1)ccc1F

InChI

InChI=1S/C17H17FN2S/c1-17(2)19-15-6-4-3-5-14(15)16(20-17)21-11-12-7-9-13(18)10-8-12/h3-10,19H,11H2,1-2H3

InChI Key

SJWNIVRZRCJBQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

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

3.955

Distribution Coefficient, logD

3.955

Water Solubility, LogSw

-4.16

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

E971-0099 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E971-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E971-0099?
Check Price and Availability of E971-0099, 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 E971-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E971-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E971-0099
  • 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 E971-0099 available by request