D345-0629 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methylpropanamide

D345-0629 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methylpropanamide
D345-0629 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0629
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methylpropanamide

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

D345-0629

Molecular Formula

C15H24N2OS (C15 H24 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(Nc1nc(CCC(C2)C(C)(C)C)c2s1)=O

InChI

InChI=1S/C15H24N2OS/c1-9(2)13(18)17-14-16-11-7-6-10(15(3,4)5)8-12(11)19-14/h9-10H,6-8H2,1-5H3,(H,16,17,18)/t10-/m1/s1

InChI Key

TWFVNRISXBXEPC-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD14820956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.734

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.30

Polar Surface Area

35.069

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.30

D345-0629 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D345-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0629?
Check Price and Availability of D345-0629, 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 D345-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0629
  • 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 D345-0629 available by request