D178-0047 Screening compound: N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide

D178-0047 Screening compound: N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
D178-0047 Screening compound: N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0047
N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide

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

D178-0047

Molecular Formula

C19H16N2O4S (C19 H16 N2 O4 S)

Compound Name

N-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide

IUPAC name

N-[4-(23-dihydro-14-benzodioxin-2-yl)-13-thiazol-2-yl]-2-phenoxyacetamide

SMILES

O=C(COc1ccccc1)Nc1nc(C2Oc(cccc3)c3OC2)cs1

InChI

InChI=1S/C19H16N2O4S/c22-18(11-23-13-6-2-1-3-7-13)21-19-20-14(12-26-19)17-10-24-15-8-4-5-9-16(15)25-17/h1-9,12,17H,10-11H2,(H,20,21,22)/t17-/m0/s1

InChI Key

GQSBNYLAEGKOIM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14813630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.158

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.37

Polar Surface Area

55.827

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

D178-0047 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D178-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0047?
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What is the minimum amount of D178-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0047
  • 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 D178-0047 available by request