4158-0460 Screening compound: (Z)-4-amino-N'-[(E)-[(2,4,5-trimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide

4158-0460 Screening compound: (Z)-4-amino-N'-[(E)-[(2,4,5-trimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide
4158-0460 Screening compound: (Z)-4-amino-N'-[(E)-[(2,4,5-trimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4158-0460
(Z)-4-amino-N'-[(E)-[(2,4,5-trimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide

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

4158-0460

Molecular Formula

C13H16N6O4 (C13 H16 N6 O4)

Compound Name

(Z)-4-amino-N'-[(E)-[(2,4,5-trimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide

IUPAC name

(Z)-4-amino-N'-[(E)-[(245-trimethoxyphenyl)methylidene]amino]-125-oxadiazole-3-carboximidamide

SMILES

COc(cc1OC)c(/C=N/N=C(/c2nonc2N)\N)cc1OC

InChI

InChI=1S/C13H16N6O4/c1-20-8-5-10(22-3)9(21-2)4-7(8)6-16-17-12(14)11-13(15)19-23-18-11/h4-6H,1-3H3,(H2,14,17)(H2,15,19)

InChI Key

YLHFVWYXMGJBNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01022076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.864

Distribution Coefficient, logD

0.855

Water Solubility, LogSw

-1.14

Polar Surface Area

119.499

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 4158-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4158-0460?
Check Price and Availability of 4158-0460, 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 4158-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4158-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4158-0460
  • 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 4158-0460 available by request