D345-0413 Screening compound: 2-[1-(3,5,6-trimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzothiazole

D345-0413 Screening compound: 2-[1-(3,5,6-trimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzothiazole
D345-0413 Screening compound: 2-[1-(3,5,6-trimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0413
2-[1-(3,5,6-trimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzothiazole

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

D345-0413

Molecular Formula

C24H24N2O2S (C24 H24 N2 O2 S)

Compound Name

2-[1-(3,5,6-trimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-benzothiazole

IUPAC name

2-[1-(356-trimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-13-benzothiazole

SMILES

Cc1c(C(N(CC2)CCC2c2nc(cccc3)c3s2)=O)oc2c1cc(C)c(C)c2

InChI

InChI=1S/C24H24N2O2S/c1-14-12-18-16(3)22(28-20(18)13-15(14)2)24(27)26-10-8-17(9-11-26)23-25-19-6-4-5-7-21(19)29-23/h4-7,12-13,17H,8-11H2,1-3H3

InChI Key

VNNYZPRKWSHRLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.123

Distribution Coefficient, logD

6.123

Water Solubility, LogSw

-5.52

Polar Surface Area

34.861

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D345-0413 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D345-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0413?
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What is the minimum amount of D345-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0413
  • 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 D345-0413 available by request