K412-0070 Screening compound: 2-(isopropylsulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one

K412-0070 Screening compound: 2-(isopropylsulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
K412-0070 Screening compound: 2-(isopropylsulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K412-0070
2-(isopropylsulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one

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

K412-0070

Molecular Formula

C9H13N3OS2 (C9 H13 N3 OS2)

Compound Name

2-(isopropylsulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one

IUPAC name

n/a

SMILES

CC(C)SC(S1)=NN(CCC2)C1=NC2=O

InChI

InChI=1S/C9H13N3OS2/c1-6(2)14-9-11-12-5-3-4-7(13)10-8(12)15-9/h6H,3-5H2,1-2H3

InChI Key

PVUTUSPLYHYLOE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

1.935

Water Solubility, LogSw

-1.90

Polar Surface Area

39.919

Acid Dissociation Constant (pKa)

15.91

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with K412-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K412-0070?
Check Price and Availability of K412-0070, 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 K412-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K412-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K412-0070
  • 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 K412-0070 available by request