D345-0487 Screening compound: 4-ethoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

D345-0487 Screening compound: 4-ethoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
D345-0487 Screening compound: 4-ethoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0487
4-ethoxy-N-(6-methyl-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

D345-0487

Molecular Formula

C17H20N2O2S (C17 H20 N2 O2 S)

Compound Name

4-ethoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

IUPAC name

4-ethoxy-N-(6-methyl-4567-tetrahydro-13-benzothiazol-2-yl)benzamide

SMILES

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

InChI

InChI=1S/C17H20N2O2S/c1-3-21-13-7-5-12(6-8-13)16(20)19-17-18-14-9-4-11(2)10-15(14)22-17/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19,20)/t11-/m1/s1

InChI Key

CHXRYGKLGPRFCT-LLVKDONJSA-N

MDL Number (MFCD)

MFCD08544925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

3.963

Water Solubility, LogSw

-4.22

Polar Surface Area

41.921

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

D345-0487 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D345-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0487?
Check Price and Availability of D345-0487, 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 D345-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0487
  • 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 D345-0487 available by request