D336-7595 Screening compound: N-(4-acetyl-5-{2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

D336-7595 Screening compound: N-(4-acetyl-5-{2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
D336-7595 Screening compound: N-(4-acetyl-5-{2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-7595
N-(4-acetyl-5-{2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-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

D336-7595

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H27N3O5S/c1-14-10-15(2)12-19(11-14)30-8-9-31-21-7-6-18(29-5)13-20(21)22-26(17(4)28)25-23(32-22)24-16(3)27/h6-7,10-13,22H,8-9H2,1-5H3,(H,24,25,27)/t22-/m0/s1

InChI Key

DOHHLVYNPMXAOG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14820433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.39

Polar Surface Area

73.337

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with D336-7595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-7595?
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What is the minimum amount of D336-7595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-7595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-7595
  • 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 D336-7595 available by request