D345-0478 Screening compound: 2-(4-fluorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

D345-0478 Screening compound: 2-(4-fluorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
D345-0478 Screening compound: 2-(4-fluorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0478
2-(4-fluorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

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

D345-0478

Molecular Formula

C16H17FN2O2S (C16 H17 FN2 O2 S)

Compound Name

2-(4-fluorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-(4-fluorophenoxy)-N-(6-methyl-4567-tetrahydro-13-benzothiazol-2-yl)acetamide

SMILES

CC(CC1)Cc2c1nc(NC(COc(cc1)ccc1F)=O)s2

InChI

InChI=1S/C16H17FN2O2S/c1-10-2-7-13-14(8-10)22-16(18-13)19-15(20)9-21-12-5-3-11(17)4-6-12/h3-6,10H,2,7-9H2,1H3,(H,18,19,20)/t10-/m1/s1

InChI Key

ZTEJLFCLRAHEQM-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD10740147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.156

Distribution Coefficient, logD

4.073

Water Solubility, LogSw

-4.12

Polar Surface Area

42.083

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D345-0478 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D345-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0478?
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What is the minimum amount of D345-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0478
  • 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 D345-0478 available by request