0590-0316 Screening compound: 4-(dipropylsulfamoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

0590-0316 Screening compound: 4-(dipropylsulfamoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
0590-0316 Screening compound: 4-(dipropylsulfamoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0590-0316
4-(dipropylsulfamoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

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

0590-0316

Molecular Formula

C21H25N3O4S2 (C21 H25 N3 O4 S2)

Compound Name

4-(dipropylsulfamoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

IUPAC name

4-(dipropylsulfamoyl)-N-(4-methoxy-13-benzothiazol-2-yl)benzamide

SMILES

CCCN(CCC)S(c(cc1)ccc1C(Nc1nc(c(OC)ccc2)c2s1)=O)(=O)=O

InChI

InChI=1S/C21H25N3O4S2/c1-4-13-24(14-5-2)30(26,27)16-11-9-15(10-12-16)20(25)23-21-22-19-17(28-3)7-6-8-18(19)29-21/h6-12H,4-5,13-14H2,1-3H3,(H,22,23,25)

InChI Key

HJOOMHLIBKTMFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00846025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.837

Distribution Coefficient, logD

4.834

Water Solubility, LogSw

-4.53

Polar Surface Area

73.096

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0590-0316 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 0590-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0590-0316?
Check Price and Availability of 0590-0316, 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 0590-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0590-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0590-0316
  • 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 0590-0316 available by request