3448-2775 Screening compound: 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2,6-dimethoxyphenyl acetate

3448-2775 Screening compound: 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2,6-dimethoxyphenyl acetate
3448-2775 Screening compound: 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-2775
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2,6-dimethoxyphenyl acetate

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

3448-2775

Molecular Formula

C22H24N2O6 (C22 H24 N2 O6)

Compound Name

4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2,6-dimethoxyphenyl acetate

IUPAC name

4-(2-amino-3-cyano-77-dimethyl-5-oxo-5678-tetrahydro-4H-chromen-4-yl)-26-dimethoxyphenyl acetate

SMILES

CC(C)(C1)CC(OC(N)=C(C2c(cc3OC)cc(OC)c3OC(C)=O)C#N)=C2C1=O

InChI

InChI=1S/C22H24N2O6/c1-11(25)29-20-15(27-4)6-12(7-16(20)28-5)18-13(10-23)21(24)30-17-9-22(2,3)8-14(26)19(17)18/h6-7,18H,8-9,24H2,1-5H3/t18-/m1/s1

InChI Key

AEFKRZOLFKQFPK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02642567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.865

Distribution Coefficient, logD

1.865

Water Solubility, LogSw

-2.24

Polar Surface Area

95.787

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

3448-2775 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3448-2775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-2775?
Check Price and Availability of 3448-2775, 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 3448-2775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-2775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-2775
  • 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 3448-2775 available by request