3448-7902 Screening compound: 3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl furan-2-carboxylate

3448-7902 Screening compound: 3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl furan-2-carboxylate
3448-7902 Screening compound: 3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-7902
3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl furan-2-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

3448-7902

Molecular Formula

C23H20N2O5 (C23 H20 N2 O5)

Compound Name

3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl furan-2-carboxylate

IUPAC name

3-(2-amino-3-cyano-77-dimethyl-5-oxo-5678-tetrahydro-4H-chromen-4-yl)phenyl furan-2-carboxylate

SMILES

CC(C)(C1)CC(OC(N)=C(C2c3cc(OC(c4ccco4)=O)ccc3)C#N)=C2C1=O

InChI

InChI=1S/C23H20N2O5/c1-23(2)10-16(26)20-18(11-23)30-21(25)15(12-24)19(20)13-5-3-6-14(9-13)29-22(27)17-7-4-8-28-17/h3-9,19H,10-11,25H2,1-2H3/t19-/m1/s1

InChI Key

CJOQYRXJPFRDDA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02642825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.529

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-2.81

Polar Surface Area

88.558

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

3448-7902 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3448-7902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-7902?
Check Price and Availability of 3448-7902, 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 3448-7902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-7902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-7902
  • 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 3448-7902 available by request