4714-0658 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}acetohydrazide

4714-0658 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}acetohydrazide
4714-0658 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4714-0658
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}acetohydrazide

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

4714-0658

Molecular Formula

C15H13N7OS2 (C15 H13 N7 OS2)

Compound Name

2-(1,3-benzothiazol-2-ylsulfanyl)-N'-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}acetohydrazide

IUPAC name

2-(13-benzothiazol-2-ylsulfanyl)-N'-{1-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl}acetohydrazide

SMILES

Cn1ncc2c1ncnc2NNC(CSc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C15H13N7OS2/c1-22-14-9(6-18-22)13(16-8-17-14)21-20-12(23)7-24-15-19-10-4-2-3-5-11(10)25-15/h2-6,8H,7H2,1H3,(H,20,23)(H,16,17,21)

InChI Key

SPOYZTBKFNDZQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03180599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.100

Distribution Coefficient, logD

2.100

Water Solubility, LogSw

-2.46

Polar Surface Area

81.422

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 4714-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4714-0658?
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What is the minimum amount of 4714-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4714-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4714-0658
  • 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 4714-0658 available by request