D336-6658 Screening compound: 4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl methanesulfonate

D336-6658 Screening compound: 4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl methanesulfonate
D336-6658 Screening compound: 4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-6658
4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl methanesulfonate

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

D336-6658

Molecular Formula

C14H17N3O6S2 (C14 H17 N3 O6 S2)

Compound Name

4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl methanesulfonate

IUPAC name

4-(3-acetyl-5-acetamido-23-dihydro-134-thiadiazol-2-yl)-2-methoxyphenyl methanesulfonate

SMILES

CC(NC(SC1c(cc2)cc(OC)c2OS(C)(=O)=O)=NN1C(C)=O)=O

InChI

InChI=1S/C14H17N3O6S2/c1-8(18)15-14-16-17(9(2)19)13(24-14)10-5-6-11(12(7-10)22-3)23-25(4,20)21/h5-7,13H,1-4H3,(H,15,16,18)/t13-/m0/s1

InChI Key

SDJXRWLTLRJTQS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14820246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.809

Distribution Coefficient, logD

0.763

Water Solubility, LogSw

-2.28

Polar Surface Area

95.008

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with D336-6658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-6658?
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What is the minimum amount of D336-6658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-6658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-6658
  • 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 D336-6658 available by request