4243-0130 Screening compound: (E)-[amino(5-methyl-1,2,4-oxadiazol-3-yl)methylidene]amino 2-phenylacetate

4243-0130 Screening compound: (E)-[amino(5-methyl-1,2,4-oxadiazol-3-yl)methylidene]amino 2-phenylacetate
4243-0130 Screening compound: (E)-[amino(5-methyl-1,2,4-oxadiazol-3-yl)methylidene]amino 2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4243-0130
(E)-[amino(5-methyl-1,2,4-oxadiazol-3-yl)methylidene]amino 2-phenylacetate

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

4243-0130

Molecular Formula

C12H12N4O3 (C12 H12 N4 O3)

Compound Name

(E)-[amino(5-methyl-1,2,4-oxadiazol-3-yl)methylidene]amino 2-phenylacetate

IUPAC name

(E)-[amino(5-methyl-124-oxadiazol-3-yl)methylidene]amino 2-phenylacetate

SMILES

Cc1nc(/C(/N)=N\OC(Cc2ccccc2)=O)no1

InChI

InChI=1S/C12H12N4O3/c1-8-14-12(16-18-8)11(13)15-19-10(17)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,15)

InChI Key

FTEFXGCMOIVUPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.975

Distribution Coefficient, logD

0.975

Water Solubility, LogSw

-1.34

Polar Surface Area

82.691

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4243-0130 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4243-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4243-0130?
Check Price and Availability of 4243-0130, 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 4243-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4243-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4243-0130
  • 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 4243-0130 available by request