8101-0057 Screening compound: N-{2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl}benzamide

8101-0057 Screening compound: N-{2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl}benzamide
8101-0057 Screening compound: N-{2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8101-0057
N-{2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl}benzamide

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

8101-0057

Molecular Formula

C14H12N4O2S (C14 H12 N4 O2 S)

Compound Name

N-{2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl}benzamide

IUPAC name

N-{2-ethyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-6-yl}benzamide

SMILES

CCC(SC1=NC=C2NC(c3ccccc3)=O)=NN1C2=O

InChI

InChI=1S/C14H12N4O2S/c1-2-11-17-18-13(20)10(8-15-14(18)21-11)16-12(19)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,19)

InChI Key

LGCBAMBQGCARJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07396211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.707

Distribution Coefficient, logD

0.631

Water Solubility, LogSw

-2.45

Polar Surface Area

61.749

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 8101-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8101-0057?
Check Price and Availability of 8101-0057, 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 8101-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8101-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8101-0057
  • 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 8101-0057 available by request