4356-0422 Screening compound: 4-[4-(1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

4356-0422 Screening compound: 4-[4-(1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
4356-0422 Screening compound: 4-[4-(1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4356-0422
4-[4-(1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

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

4356-0422

Molecular Formula

C17H13N3O2S (C17 H13 N3 O2 S)

Compound Name

4-[4-(1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

IUPAC name

4-[4-(13-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-yl]benzene-13-diol

SMILES

Cc([nH]nc1-c(ccc(O)c2)c2O)c1-c1nc(cccc2)c2s1

InChI

InChI=1S/C17H13N3O2S/c1-9-15(17-18-12-4-2-3-5-14(12)23-17)16(20-19-9)11-7-6-10(21)8-13(11)22/h2-8,21-22H,1H3,(H,19,20)

InChI Key

ZINUBXHFNNZJJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01181796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

4.138

Water Solubility, LogSw

-4.15

Polar Surface Area

67.690

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4356-0422 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS targets activity set (6557 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4356-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4356-0422?
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What is the minimum amount of 4356-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4356-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4356-0422
  • 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 4356-0422 available by request