3778-0018 Screening compound: (E)-[(4-amino-1,2,5-oxadiazol-3-yl)[(2-methylphenyl)amino]methylidene]amino acetate

3778-0018 Screening compound: (E)-[(4-amino-1,2,5-oxadiazol-3-yl)[(2-methylphenyl)amino]methylidene]amino acetate
3778-0018 Screening compound: (E)-[(4-amino-1,2,5-oxadiazol-3-yl)[(2-methylphenyl)amino]methylidene]amino acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3778-0018
(E)-[(4-amino-1,2,5-oxadiazol-3-yl)[(2-methylphenyl)amino]methylidene]amino acetate

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

3778-0018

Molecular Formula

C12H13N5O3 (C12 H13 N5 O3)

Compound Name

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

IUPAC name

(E)-[(4-amino-125-oxadiazol-3-yl)[(2-methylphenyl)amino]methylidene]amino acetate

SMILES

CC(O/N=C(\c1nonc1N)/Nc1c(C)cccc1)=O

InChI

InChI=1S/C12H13N5O3/c1-7-5-3-4-6-9(7)14-12(17-19-8(2)18)10-11(13)16-20-15-10/h3-6H,1-2H3,(H2,13,16)(H,14,17)

InChI Key

LARCGXZFOQHPGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01812157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.463

Distribution Coefficient, logD

1.463

Water Solubility, LogSw

-1.89

Polar Surface Area

97.822

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3778-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3778-0018?
Check Price and Availability of 3778-0018, 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 3778-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3778-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3778-0018
  • 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 3778-0018 available by request