3181-0204 Screening compound: N~1~-(4-acetyl-5-hexyl-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

3181-0204 Screening compound: N~1~-(4-acetyl-5-hexyl-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
3181-0204 Screening compound: N~1~-(4-acetyl-5-hexyl-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3181-0204
N~1~-(4-acetyl-5-hexyl-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

3181-0204

Molecular Formula

C13H23N3O2S (C13 H23 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCC1(C)SC(NC(C)=O)=NN1C(C)=O

InChI

InChI=1S/C13H23N3O2S/c1-5-6-7-8-9-13(4)16(11(3)18)15-12(19-13)14-10(2)17/h5-9H2,1-4H3,(H,14,15,17)/t13-/m0/s1

InChI Key

SVLGRWPUYVKDIK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02068139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

2.991

Water Solubility, LogSw

-3.08

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

76.92

3181-0204 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3181-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3181-0204?
Check Price and Availability of 3181-0204, 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 3181-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3181-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3181-0204
  • 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 3181-0204 available by request