E971-0407 Screening compound: 2-[(2,2-dimethyl-1,2-dihydroquinazolin-4-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

E971-0407 Screening compound: 2-[(2,2-dimethyl-1,2-dihydroquinazolin-4-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
E971-0407 Screening compound: 2-[(2,2-dimethyl-1,2-dihydroquinazolin-4-yl)sulfanyl]-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E971-0407
2-[(2,2-dimethyl-1,2-dihydroquinazolin-4-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

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

E971-0407

Molecular Formula

C18H18FN3OS (C18 H18 FN3 OS)

Compound Name

2-[(2,2-dimethyl-1,2-dihydroquinazolin-4-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

IUPAC name

2-[(22-dimethyl-12-dihydroquinazolin-4-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

SMILES

CC(C)(Nc1c2cccc1)N=C2SCC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C18H18FN3OS/c1-18(2)21-15-6-4-3-5-14(15)17(22-18)24-11-16(23)20-13-9-7-12(19)8-10-13/h3-10,21H,11H2,1-2H3,(H,20,23)

InChI Key

JAVOIRUSFJINIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

3.630

Water Solubility, LogSw

-3.99

Polar Surface Area

41.675

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with E971-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E971-0407?
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What is the minimum amount of E971-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E971-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E971-0407
  • 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 E971-0407 available by request