3335-4092 Screening compound: 4-benzoyl-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

3335-4092 Screening compound: 4-benzoyl-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
3335-4092 Screening compound: 4-benzoyl-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-4092
4-benzoyl-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-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

3335-4092

Molecular Formula

C23H20N2O3S (C23 H20 N2 O3 S)

Compound Name

4-benzoyl-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

IUPAC name

4-benzoyl-N-(55-dimethyl-7-oxo-4567-tetrahydro-13-benzothiazol-2-yl)benzamide

SMILES

CC(C)(Cc1c2sc(NC(c(cc3)ccc3C(c3ccccc3)=O)=O)n1)CC2=O

InChI

InChI=1S/C23H20N2O3S/c1-23(2)12-17-20(18(26)13-23)29-22(24-17)25-21(28)16-10-8-15(9-11-16)19(27)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,24,25,28)

InChI Key

OUYGWCZMGOSBGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02052789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.558

Distribution Coefficient, logD

3.103

Water Solubility, LogSw

-4.42

Polar Surface Area

61.512

Acid Dissociation Constant (pKa)

5.96

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

3335-4092 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 3335-4092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-4092?
Check Price and Availability of 3335-4092, 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 3335-4092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-4092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-4092
  • 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 3335-4092 available by request