D336-7656 Screening compound: N-(4-acetyl-5-{3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

D336-7656 Screening compound: N-(4-acetyl-5-{3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
D336-7656 Screening compound: N-(4-acetyl-5-{3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-7656
N-(4-acetyl-5-{3-[2-(2,4-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

D336-7656

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

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

IUPAC name

N-(4-acetyl-5-{3-[2-(24-dimethylphenoxy)ethoxy]phenyl}-45-dihydro-134-thiadiazol-2-yl)acetamide

SMILES

CC(NC(SC1c2cc(OCCOc3c(C)cc(C)cc3)ccc2)=NN1C(C)=O)=O

InChI

InChI=1S/C22H25N3O4S/c1-14-8-9-20(15(2)12-14)29-11-10-28-19-7-5-6-18(13-19)21-25(17(4)27)24-22(30-21)23-16(3)26/h5-9,12-13,21H,10-11H2,1-4H3,(H,23,24,26)/t21-/m0/s1

InChI Key

VQXCFPLQSGLONC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14820450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

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

4.296

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.36

Polar Surface Area

65.793

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with D336-7656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-7656?
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What is the minimum amount of D336-7656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-7656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-7656
  • 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 D336-7656 available by request