6040-1917 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-ethylbutanamide

6040-1917 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-ethylbutanamide
6040-1917 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6040-1917
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-ethylbutanamide

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

6040-1917

Molecular Formula

C15H22N2O2S (C15 H22 N2 O2 S)

Compound Name

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

IUPAC name

N-(55-dimethyl-7-oxo-4567-tetrahydro-13-benzothiazol-2-yl)-2-ethylbutanamide

SMILES

CCC(CC)C(Nc1nc(CC(C)(C)CC2=O)c2s1)=O

InChI

InChI=1S/C15H22N2O2S/c1-5-9(6-2)13(19)17-14-16-10-7-15(3,4)8-11(18)12(10)20-14/h9H,5-8H2,1-4H3,(H,16,17,19)

InChI Key

JKOIZULCUPQCLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03638179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.508

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-3.61

Polar Surface Area

48.317

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

6040-1917 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6040-1917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6040-1917?
Check Price and Availability of 6040-1917, 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 6040-1917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6040-1917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6040-1917
  • 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 6040-1917 available by request