D336-7662 Screening compound: 3-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl methanesulfonate

D336-7662 Screening compound: 3-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl methanesulfonate
D336-7662 Screening compound: 3-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-7662
3-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 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

D336-7662

Molecular Formula

C13H15N3O5S2 (C13 H15 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(SC1c2cccc(OS(C)(=O)=O)c2)=NN1C(C)=O)=O

InChI

InChI=1S/C13H15N3O5S2/c1-8(17)14-13-15-16(9(2)18)12(22-13)10-5-4-6-11(7-10)21-23(3,19)20/h4-7,12H,1-3H3,(H,14,15,17)/t12-/m0/s1

InChI Key

VMCLEKNYFWQBKE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14820452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.024

Distribution Coefficient, logD

0.978

Water Solubility, LogSw

-2.28

Polar Surface Area

87.291

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with D336-7662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-7662?
Check Price and Availability of D336-7662, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D336-7662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-7662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-7662
  • 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 D336-7662 available by request