8012-0232 Screening compound: 4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl]-2-methoxyphenyl morpholine-4-carboxylate

8012-0232 Screening compound: 4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl]-2-methoxyphenyl morpholine-4-carboxylate
8012-0232 Screening compound: 4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl]-2-methoxyphenyl morpholine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0232
4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl]-2-methoxyphenyl morpholine-4-carboxylate

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

8012-0232

Molecular Formula

C26H25N3O7 (C26 H25 N3 O7)

Compound Name

4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl]-2-methoxyphenyl morpholine-4-carboxylate

IUPAC name

4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5678-tetrahydro-4H-chromen-4-yl]-2-methoxyphenyl morpholine-4-carboxylate

SMILES

COc(cc(C1C(C#N)=C(N)OC(CC(C2)c3ccco3)=C1C2=O)cc1)c1OC(N1CCOCC1)=O

InChI

InChI=1S/C26H25N3O7/c1-32-21-12-15(4-5-20(21)36-26(31)29-6-9-33-10-7-29)23-17(14-27)25(28)35-22-13-16(11-18(30)24(22)23)19-3-2-8-34-19/h2-5,8,12,16,23H,6-7,9-11,13,28H2,1H3

InChI Key

PUBRIUVPRFXOHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

2.331

Water Solubility, LogSw

-3.00

Polar Surface Area

106.131

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with 8012-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0232?
Check Price and Availability of 8012-0232, 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 8012-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0232
  • 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 8012-0232 available by request