D345-0393 Screening compound: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]propan-1-one

D345-0393 Screening compound: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]propan-1-one
D345-0393 Screening compound: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0393
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]propan-1-one

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

D345-0393

Molecular Formula

C25H30N2O2S (C25 H30 N2 O2 S)

Compound Name

1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]propan-1-one

IUPAC name

1-[4-(13-benzothiazol-2-yl)piperidin-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]propan-1-one

SMILES

CC(C)c(ccc(C)c1)c1OC(C)C(N(CC1)CCC1c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C25H30N2O2S/c1-16(2)20-10-9-17(3)15-22(20)29-18(4)25(28)27-13-11-19(12-14-27)24-26-21-7-5-6-8-23(21)30-24/h5-10,15-16,18-19H,11-14H2,1-4H3/t18-/m0/s1

InChI Key

APKYRLHGODKXIM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08546845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.171

Distribution Coefficient, logD

6.171

Water Solubility, LogSw

-5.40

Polar Surface Area

33.211

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

D345-0393 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D345-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0393?
Check Price and Availability of D345-0393, 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 D345-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0393
  • 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 D345-0393 available by request