3448-4038 Screening compound: 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl morpholine-4-carboxylate

3448-4038 Screening compound: 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl morpholine-4-carboxylate
3448-4038 Screening compound: 4-(2-amino-3-cyano-7,7-dimethyl-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 3448-4038
4-(2-amino-3-cyano-7,7-dimethyl-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

3448-4038

Molecular Formula

C24H27N3O6 (C24 H27 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(OC(N)=C(C2c(cc3)cc(OC)c3OC(N3CCOCC3)=O)C#N)=C2C1=O

InChI

InChI=1S/C24H27N3O6/c1-24(2)11-16(28)21-19(12-24)32-22(26)15(13-25)20(21)14-4-5-17(18(10-14)30-3)33-23(29)27-6-8-31-9-7-27/h4-5,10,20H,6-9,11-12,26H2,1-3H3/t20-/m1/s1

InChI Key

OUTOKYAVMMRNCL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02642615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.016

Distribution Coefficient, logD

2.016

Water Solubility, LogSw

-2.49

Polar Surface Area

97.824

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

3448-4038 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3448-4038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-4038?
Check Price and Availability of 3448-4038, 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 3448-4038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-4038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-4038
  • 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 3448-4038 available by request