D345-0654 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide

D345-0654 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
D345-0654 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0654
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide

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

D345-0654

Molecular Formula

C15H24N2OS (C15 H24 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H24N2OS/c1-5-6-13(18)17-14-16-11-8-7-10(15(2,3)4)9-12(11)19-14/h10H,5-9H2,1-4H3,(H,16,17,18)/t10-/m1/s1

InChI Key

HSWSSUJSSBGTPR-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD14820958

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

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.571

Distribution Coefficient, logD

4.460

Water Solubility, LogSw

-4.24

Polar Surface Area

34.856

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.30

D345-0654 in Drug Discovery

Included in Screening Libraries

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

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D345-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0654?
Check Price and Availability of D345-0654, 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 D345-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0654
  • 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 D345-0654 available by request