0831-0027 Screening compound: 4-(dipropylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

0831-0027 Screening compound: 4-(dipropylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
0831-0027 Screening compound: 4-(dipropylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0027
4-(dipropylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-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

0831-0027

Molecular Formula

C22H24FN3O3S2 (C22 H24 FN3 O3 S2)

Compound Name

4-(dipropylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

IUPAC name

4-(dipropylsulfamoyl)-N-[4-(4-fluorophenyl)-13-thiazol-2-yl]benzamide

SMILES

CCCN(CCC)S(c(cc1)ccc1C(Nc1nc(-c(cc2)ccc2F)cs1)=O)(=O)=O

InChI

InChI=1S/C22H24FN3O3S2/c1-3-13-26(14-4-2)31(28,29)19-11-7-17(8-12-19)21(27)25-22-24-20(15-30-22)16-5-9-18(23)10-6-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,24,25,27)

InChI Key

GVOOCCXXXLXTDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03446996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.749

Distribution Coefficient, logD

5.747

Water Solubility, LogSw

-5.49

Polar Surface Area

64.708

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

0831-0027 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Frequent Hitters Library (7624 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0831-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0027?
Check Price and Availability of 0831-0027, 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 0831-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0027
  • 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 0831-0027 available by request