0591-5294 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-propylcyclohexyl)benzamide

0591-5294 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-propylcyclohexyl)benzamide
0591-5294 Screening compound: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-propylcyclohexyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5294
N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-propylcyclohexyl)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

0591-5294

Molecular Formula

C24H28N2OS (C24 H28 N2 OS)

Compound Name

N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-propylcyclohexyl)benzamide

IUPAC name

N-(6-methyl-13-benzothiazol-2-yl)-4-(4-propylcyclohexyl)benzamide

SMILES

CCCC(CC1)CCC1c(cc1)ccc1C(Nc1nc(ccc(C)c2)c2s1)=O

InChI

InChI=1S/C24H28N2OS/c1-3-4-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(27)26-24-25-21-14-5-16(2)15-22(21)28-24/h5,10-15,17-18H,3-4,6-9H2,1-2H3,(H,25,26,27)

InChI Key

ITFBNOLXZUHVCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.037

Distribution Coefficient, logD

8.035

Water Solubility, LogSw

-5.58

Polar Surface Area

33.012

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0591-5294 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 0591-5294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5294?
Check Price and Availability of 0591-5294, 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 0591-5294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5294
  • 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 0591-5294 available by request