D336-7269 Screening compound: N-{4-acetyl-5-[5-bromo-2-(2-phenoxyethoxy)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide

D336-7269 Screening compound: N-{4-acetyl-5-[5-bromo-2-(2-phenoxyethoxy)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
D336-7269 Screening compound: N-{4-acetyl-5-[5-bromo-2-(2-phenoxyethoxy)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-7269
N-{4-acetyl-5-[5-bromo-2-(2-phenoxyethoxy)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

D336-7269

Molecular Formula

C20H20BrN3O4S (C20 H20 BrN3 O4 S)

Compound Name

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

IUPAC name

N-{4-acetyl-5-[5-bromo-2-(2-phenoxyethoxy)phenyl]-45-dihydro-134-thiadiazol-2-yl}acetamide

SMILES

CC(NC(SC1c(cc(cc2)Br)c2OCCOc2ccccc2)=NN1C(C)=O)=O

InChI

InChI=1S/C20H20BrN3O4S/c1-13(25)22-20-23-24(14(2)26)19(29-20)17-12-15(21)8-9-18(17)28-11-10-27-16-6-4-3-5-7-16/h3-9,12,19H,10-11H2,1-2H3,(H,22,23,25)/t19-/m0/s1

InChI Key

RIFSFUODFLJNRU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14820342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.37

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

4.211

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.23

Polar Surface Area

65.793

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D336-7269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-7269?
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What is the minimum amount of D336-7269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-7269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-7269
  • 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 D336-7269 available by request