4714-0660 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-{1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}acetohydrazide

4714-0660 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-{1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}acetohydrazide
4714-0660 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-{1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4714-0660
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-{1-benzyl-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

4714-0660

Molecular Formula

C21H17N7OS2 (C21 H17 N7 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(cccc2)c2s1)NNc1ncnc2c1cnn2Cc1ccccc1

InChI

InChI=1S/C21H17N7OS2/c29-18(12-30-21-25-16-8-4-5-9-17(16)31-21)26-27-19-15-10-24-28(20(15)23-13-22-19)11-14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,26,29)(H,22,23,27)

InChI Key

CLROYIDJDRNJMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03009052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.715

Water Solubility, LogSw

-3.91

Polar Surface Area

80.864

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 4714-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4714-0660?
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What is the minimum amount of 4714-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4714-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4714-0660
  • 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 4714-0660 available by request