J033-0149 Screening compound: 1-(1,2-dimethyl-1H-indol-3-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one

J033-0149 Screening compound: 1-(1,2-dimethyl-1H-indol-3-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one
J033-0149 Screening compound: 1-(1,2-dimethyl-1H-indol-3-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J033-0149
1-(1,2-dimethyl-1H-indol-3-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

J033-0149

Molecular Formula

C20H17N3O2S (C20 H17 N3 O2 S)

Compound Name

1-(1,2-dimethyl-1H-indol-3-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one

IUPAC name

1-(12-dimethyl-1H-indol-3-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]ethan-1-one

SMILES

Cc1c(C(CSc2nc3ccccc3c(O)n2)=O)c(cccc2)c2n1C

InChI

InChI=1S/C20H17N3O2S/c1-12-18(14-8-4-6-10-16(14)23(12)2)17(24)11-26-20-21-15-9-5-3-7-13(15)19(25)22-20/h3-10H,11H2,1-2H3,(H,21,22,25)

InChI Key

PJDSKMDZRFBUMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09794127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

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

3.491

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-3.85

Polar Surface Area

49.465

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with J033-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J033-0149?
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What is the minimum amount of J033-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J033-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J033-0149
  • 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 J033-0149 available by request