0823-0419 Screening compound: 3-amino-1-{3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}thiourea

0823-0419 Screening compound: 3-amino-1-{3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}thiourea
0823-0419 Screening compound: 3-amino-1-{3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0823-0419
3-amino-1-{3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}thiourea

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

0823-0419

Molecular Formula

C10H11N5OS2 (C10 H11 N5 OS2)

Compound Name

3-amino-1-{3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}thiourea

IUPAC name

3-amino-1-{3-[5-(methylsulfanyl)-134-oxadiazol-2-yl]phenyl}thiourea

SMILES

CSc1nnc(-c2cccc(NC(NN)=S)c2)o1

InChI

InChI=1S/C10H11N5OS2/c1-18-10-15-14-8(16-10)6-3-2-4-7(5-6)12-9(17)13-11/h2-5H,11H2,1H3,(H2,12,13,17)

InChI Key

DPXRMSNVSJBIKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.224

Distribution Coefficient, logD

1.185

Water Solubility, LogSw

-2.10

Polar Surface Area

74.973

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0823-0419 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0823-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0823-0419?
Check Price and Availability of 0823-0419, 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 0823-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0823-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0823-0419
  • 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 0823-0419 available by request