D336-7175 Screening compound: N-(4-acetyl-5-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

D336-7175 Screening compound: N-(4-acetyl-5-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
D336-7175 Screening compound: N-(4-acetyl-5-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-7175
N-(4-acetyl-5-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-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

D336-7175

Molecular Formula

C22H24ClN3O4S (C22 H24 ClN3 O4 S)

Compound Name

N-(4-acetyl-5-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

N-(4-acetyl-5-{3-chloro-4-[2-(35-dimethylphenoxy)ethoxy]phenyl}-45-dihydro-134-thiadiazol-2-yl)acetamide

SMILES

CC(NC(SC1c(cc2)cc(Cl)c2OCCOc2cc(C)cc(C)c2)=NN1C(C)=O)=O

InChI

InChI=1S/C22H24ClN3O4S/c1-13-9-14(2)11-18(10-13)29-7-8-30-20-6-5-17(12-19(20)23)21-26(16(4)28)25-22(31-21)24-15(3)27/h5-6,9-12,21H,7-8H2,1-4H3,(H,24,25,27)/t21-/m0/s1

InChI Key

YKDCRACMAPXIDH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14820327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.87

Polar Surface Area

65.793

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

D336-7175 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D336-7175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-7175?
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What is the minimum amount of D336-7175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-7175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-7175
  • 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 D336-7175 available by request