3113-0002 Screening compound: N-(4-acetyl-5-heptyl-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

3113-0002 Screening compound: N-(4-acetyl-5-heptyl-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
3113-0002 Screening compound: N-(4-acetyl-5-heptyl-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3113-0002
N-(4-acetyl-5-heptyl-5-methyl-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

3113-0002

Molecular Formula

C14H25N3O2S (C14 H25 N3 O2 S)

Compound Name

N-(4-acetyl-5-heptyl-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

N-(4-acetyl-5-heptyl-5-methyl-45-dihydro-134-thiadiazol-2-yl)acetamide

SMILES

CCCCCCCC1(C)SC(NC(C)=O)=NN1C(C)=O

InChI

InChI=1S/C14H25N3O2S/c1-5-6-7-8-9-10-14(4)17(12(3)19)16-13(20-14)15-11(2)18/h5-10H2,1-4H3,(H,15,16,18)/t14-/m0/s1

InChI Key

ZQFYAFXFNLCOTE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02105125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.50

Polar Surface Area

51.200

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.60

References: we are preparing a list of scientific research reports with 3113-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3113-0002?
Check Price and Availability of 3113-0002, 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 3113-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3113-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3113-0002
  • 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 3113-0002 available by request