D376-0094 Screening compound: 2-[(2,5-dimethylphenoxy)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

D376-0094 Screening compound: 2-[(2,5-dimethylphenoxy)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
D376-0094 Screening compound: 2-[(2,5-dimethylphenoxy)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D376-0094
2-[(2,5-dimethylphenoxy)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

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

D376-0094

Molecular Formula

C18H20N4O2S2 (C18 H20 N4 O2 S2)

Compound Name

2-[(2,5-dimethylphenoxy)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

2-[(25-dimethylphenoxy)methyl]-N-(5-ethyl-134-thiadiazol-2-yl)-4-methyl-13-thiazole-5-carboxamide

SMILES

CCc1nnc(NC(c2c(C)nc(COc3c(C)ccc(C)c3)s2)=O)s1

InChI

InChI=1S/C18H20N4O2S2/c1-5-14-21-22-18(26-14)20-17(23)16-12(4)19-15(25-16)9-24-13-8-10(2)6-7-11(13)3/h6-8H,5,9H2,1-4H3,(H,20,22,23)

InChI Key

HTXMGZQUMHFCRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.754

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.50

Polar Surface Area

65.762

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D376-0094 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D376-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D376-0094?
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What is the minimum amount of D376-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D376-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D376-0094
  • 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 D376-0094 available by request