D345-0595 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-ethoxybenzamide

D345-0595 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
D345-0595 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0595
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-ethoxybenzamide

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

D345-0595

Molecular Formula

C20H26N2O2S (C20 H26 N2 O2 S)

Compound Name

N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-ethoxybenzamide

IUPAC name

N-(6-tert-butyl-4567-tetrahydro-13-benzothiazol-2-yl)-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(Nc1nc(CCC(C2)C(C)(C)C)c2s1)=O

InChI

InChI=1S/C20H26N2O2S/c1-5-24-15-9-6-13(7-10-15)18(23)22-19-21-16-11-8-14(20(2,3)4)12-17(16)25-19/h6-7,9-10,14H,5,8,11-12H2,1-4H3,(H,21,22,23)/t14-/m1/s1

InChI Key

SBOBIBAJMBJVKI-CQSZACIVSA-N

MDL Number (MFCD)

MFCD12914827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.684

Distribution Coefficient, logD

5.086

Water Solubility, LogSw

-5.35

Polar Surface Area

41.921

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D345-0595 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 D345-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0595?
Check Price and Availability of D345-0595, 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 D345-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0595
  • 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 D345-0595 available by request