D376-1104 Screening compound: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(3,4-dimethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide

D376-1104 Screening compound: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(3,4-dimethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
D376-1104 Screening compound: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(3,4-dimethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D376-1104
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(3,4-dimethylphenoxy)methyl]-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

D376-1104

Molecular Formula

C19H20N4O2S2 (C19 H20 N4 O2 S2)

Compound Name

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

IUPAC name

N-(5-cyclopropyl-134-thiadiazol-2-yl)-2-[(34-dimethylphenoxy)methyl]-4-methyl-13-thiazole-5-carboxamide

SMILES

Cc1c(C(Nc2nnc(C3CC3)s2)=O)sc(COc2cc(C)c(C)cc2)n1

InChI

InChI=1S/C19H20N4O2S2/c1-10-4-7-14(8-11(10)2)25-9-15-20-12(3)16(26-15)17(24)21-19-23-22-18(27-19)13-5-6-13/h4,7-8,13H,5-6,9H2,1-3H3,(H,21,23,24)

InChI Key

QKPDRZGYOVHKHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.53

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

5.051

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.73

Polar Surface Area

65.431

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D376-1104 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D376-1104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D376-1104?
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What is the minimum amount of D376-1104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D376-1104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D376-1104
  • 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 D376-1104 available by request