4439-0142 Screening compound: 3-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl acetate

4439-0142 Screening compound: 3-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl acetate
4439-0142 Screening compound: 3-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4439-0142
3-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl acetate

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

4439-0142

Molecular Formula

C14H15N3O4S (C14 H15 N3 O4 S)

Compound Name

3-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl acetate

IUPAC name

3-(3-acetyl-5-acetamido-23-dihydro-134-thiadiazol-2-yl)phenyl acetate

SMILES

CC(NC(SC1c2cc(OC(C)=O)ccc2)=NN1C(C)=O)=O

InChI

InChI=1S/C14H15N3O4S/c1-8(18)15-14-16-17(9(2)19)13(22-14)11-5-4-6-12(7-11)21-10(3)20/h4-7,13H,1-3H3,(H,15,16,18)/t13-/m0/s1

InChI Key

CXOPMXZHWZHAKT-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01825242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.163

Distribution Coefficient, logD

1.117

Water Solubility, LogSw

-2.21

Polar Surface Area

71.894

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4439-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4439-0142?
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What is the minimum amount of 4439-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4439-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4439-0142
  • 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 4439-0142 available by request