J033-0144F Screening compound: 1-(azepan-1-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one

J033-0144F Screening compound: 1-(azepan-1-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one
J033-0144F Screening compound: 1-(azepan-1-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J033-0144F
1-(azepan-1-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one

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

J033-0144F

Molecular Formula

C16H19N3O2S (C16 H19 N3 O2 S)

Compound Name

1-(azepan-1-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one

SMILES

Oc1nc(SCC(N2CCCCCC2)=O)nc2ccccc12

InChI

InChI=1S/C16H19N3O2S/c20-14(19-9-5-1-2-6-10-19)11-22-16-17-13-8-4-3-7-12(13)15(21)18-16/h3-4,7-8H,1-2,5-6,9-11H2,(H,17,18,21)

InChI Key

KOSLGRQVKQNCJB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.752

Distribution Coefficient, logD

2.665

Water Solubility, LogSw

-2.83

Polar Surface Area

50.659

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with J033-0144F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J033-0144F?
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What is the minimum amount of J033-0144F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J033-0144F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J033-0144F
  • 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 J033-0144F available by request