C482-1000 Screening compound: 6-[(Z)-1-(3,4-diethoxyphenyl)methylidene]-7-imino-2-methyl-5H-isoxazolo[2,3-a]pyrimidin-5(7H)-one

C482-1000 Screening compound: 6-[(Z)-1-(3,4-diethoxyphenyl)methylidene]-7-imino-2-methyl-5H-isoxazolo[2,3-a]pyrimidin-5(7H)-one
C482-1000 Screening compound: 6-[(Z)-1-(3,4-diethoxyphenyl)methylidene]-7-imino-2-methyl-5H-isoxazolo[2,3-a]pyrimidin-5(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C482-1000
6-[(Z)-1-(3,4-diethoxyphenyl)methylidene]-7-imino-2-methyl-5H-isoxazolo[2,3-a]pyrimidin-5(7H)-one

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

C482-1000

Molecular Formula

C18H19N3O4 (C18 H19 N3 O4)

Compound Name

6-[(Z)-1-(3,4-diethoxyphenyl)methylidene]-7-imino-2-methyl-5H-isoxazolo[2,3-a]pyrimidin-5(7H)-one

IUPAC name

(6Z)-6-[(34-diethoxyphenyl)methylidene]-7-imino-2-methyl-5H6H7H-[12]oxazolo[23-a]pyrimidin-5-one

SMILES

CCOc(ccc(/C=C(/C(N1OC(C)=CC1=N1)=N)\C1=O)c1)c1OCC

InChI

InChI=1S/C18H19N3O4/c1-4-23-14-7-6-12(10-15(14)24-5-2)9-13-17(19)21-16(20-18(13)22)8-11(3)25-21/h6-10,19H,4-5H2,1-3H3

InChI Key

MSQDNVYBZGQYIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.315

Distribution Coefficient, logD

-0.054

Water Solubility, LogSw

-2.14

Polar Surface Area

69.599

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with C482-1000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C482-1000?
Check Price and Availability of C482-1000, 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 C482-1000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C482-1000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C482-1000
  • 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 C482-1000 available by request