D376-0917 Screening compound: 2-{2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

D376-0917 Screening compound: 2-{2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
D376-0917 Screening compound: 2-{2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D376-0917
2-{2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl}-N-(6-methoxy-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

D376-0917

Molecular Formula

C22H21N3O3S2 (C22 H21 N3 O3 S2)

Compound Name

2-{2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-{2-[(4-ethylphenoxy)methyl]-13-thiazol-4-yl}-N-(6-methoxy-13-benzothiazol-2-yl)acetamide

SMILES

CCc(cc1)ccc1OCc1nc(CC(Nc2nc(ccc(OC)c3)c3s2)=O)cs1

InChI

InChI=1S/C22H21N3O3S2/c1-3-14-4-6-16(7-5-14)28-12-21-23-15(13-29-21)10-20(26)25-22-24-18-9-8-17(27-2)11-19(18)30-22/h4-9,11,13H,3,10,12H2,1-2H3,(H,24,25,26)

InChI Key

SKLGTDFDYHIGFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.710

Distribution Coefficient, logD

5.710

Water Solubility, LogSw

-5.40

Polar Surface Area

58.645

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D376-0917 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D376-0917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D376-0917?
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What is the minimum amount of D376-0917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D376-0917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D376-0917
  • 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 D376-0917 available by request