D336-7435 Screening compound: N-{4-acetyl-5-[5-chloro-2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide

D336-7435 Screening compound: N-{4-acetyl-5-[5-chloro-2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
D336-7435 Screening compound: N-{4-acetyl-5-[5-chloro-2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-7435
N-{4-acetyl-5-[5-chloro-2-(3-phenoxypropoxy)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

D336-7435

Molecular Formula

C21H22ClN3O4S (C21 H22 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(SC1c(cc(cc2)Cl)c2OCCCOc2ccccc2)=NN1C(C)=O)=O

InChI

InChI=1S/C21H22ClN3O4S/c1-14(26)23-21-24-25(15(2)27)20(30-21)18-13-16(22)9-10-19(18)29-12-6-11-28-17-7-4-3-5-8-17/h3-5,7-10,13,20H,6,11-12H2,1-2H3,(H,23,24,26)/t20-/m0/s1

InChI Key

DSQLHSFKURTFIQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14820385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.553

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.66

Polar Surface Area

65.793

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D336-7435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-7435?
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What is the minimum amount of D336-7435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-7435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-7435
  • 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 D336-7435 available by request