D036-1738 Screening compound: 4-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(4-methylpiperazin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

D036-1738 Screening compound: 4-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(4-methylpiperazin-1-yl)sulfonyl]-2,1,3-benzothiadiazole
D036-1738 Screening compound: 4-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(4-methylpiperazin-1-yl)sulfonyl]-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D036-1738
4-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(4-methylpiperazin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

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

D036-1738

Molecular Formula

C18H18N6O2S3 (C18 H18 N6 O2 S3)

Compound Name

4-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(4-methylpiperazin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

IUPAC name

4-(1H-13-benzodiazol-2-ylsulfanyl)-7-[(4-methylpiperazin-1-yl)sulfonyl]-213-benzothiadiazole

SMILES

CN(CC1)CCN1S(c(c1nsnc11)ccc1Sc1nc(cccc2)c2[nH]1)(=O)=O

InChI

InChI=1S/C18H18N6O2S3/c1-23-8-10-24(11-9-23)29(25,26)15-7-6-14(16-17(15)22-28-21-16)27-18-19-12-4-2-3-5-13(12)20-18/h2-7H,8-11H2,1H3,(H,19,20)

InChI Key

XNNCFDKSQXXZQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.635

Distribution Coefficient, logD

2.570

Water Solubility, LogSw

-2.99

Polar Surface Area

74.891

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D036-1738 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D036-1738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D036-1738?
Check Price and Availability of D036-1738, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D036-1738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D036-1738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D036-1738
  • 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 D036-1738 available by request