6725-3432 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)acetamide

6725-3432 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)acetamide
6725-3432 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6725-3432
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)acetamide

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

6725-3432

Molecular Formula

C26H20N6OS2 (C26 H20 N6 OS2)

Compound Name

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)acetamide

IUPAC name

2-(13-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-{6-methyl-[124]triazolo[34-a]phthalazin-3-yl}phenyl)acetamide

SMILES

Cc(ccc(-c1nnc2n1nc(C)c1c2cccc1)c1)c1NC(CSc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C26H20N6OS2/c1-15-11-12-17(24-29-30-25-19-8-4-3-7-18(19)16(2)31-32(24)25)13-21(15)27-23(33)14-34-26-28-20-9-5-6-10-22(20)35-26/h3-13H,14H2,1-2H3,(H,27,33)

InChI Key

ZBUIDPHWJQODRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04012914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.240

Distribution Coefficient, logD

5.240

Water Solubility, LogSw

-5.22

Polar Surface Area

64.510

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

6725-3432 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 6725-3432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6725-3432?
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What is the minimum amount of 6725-3432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6725-3432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6725-3432
  • 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 6725-3432 available by request