2989-0167 Screening compound: N-[4-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide

2989-0167 Screening compound: N-[4-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
2989-0167 Screening compound: N-[4-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2989-0167
N-[4-acetyl-5-(4-ethoxyphenyl)-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

2989-0167

Molecular Formula

C14H17N3O3S (C14 H17 N3 O3 S)

Compound Name

N-[4-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide

IUPAC name

N-[4-acetyl-5-(4-ethoxyphenyl)-45-dihydro-134-thiadiazol-2-yl]acetamide

SMILES

CCOc1ccc(C2SC(NC(C)=O)=NN2C(C)=O)cc1

InChI

InChI=1S/C14H17N3O3S/c1-4-20-12-7-5-11(6-8-12)13-17(10(3)19)16-14(21-13)15-9(2)18/h5-8,13H,4H2,1-3H3,(H,15,16,18)/t13-/m0/s1

InChI Key

UYEZOYHQUZWUIF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01821421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.131

Distribution Coefficient, logD

2.084

Water Solubility, LogSw

-2.72

Polar Surface Area

58.266

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with 2989-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2989-0167?
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What is the minimum amount of 2989-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2989-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2989-0167
  • 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 2989-0167 available by request