1932-0027 Screening compound: 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl acetate

1932-0027 Screening compound: 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl acetate
1932-0027 Screening compound: 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1932-0027
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl 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

1932-0027

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-11(24)27-15-6-5-12(7-16(15)26-4)18-13(10-22)20(23)28-17-9-21(2,3)8-14(25)19(17)18/h5-7,18H,8-9,23H2,1-4H3/t18-/m1/s1

InChI Key

AMZSOPQZZZTALL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01119020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

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

1.930

Distribution Coefficient, logD

1.930

Water Solubility, LogSw

-2.53

Polar Surface Area

88.070

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

1932-0027 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 1932-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1932-0027?
Check Price and Availability of 1932-0027, 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 1932-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1932-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1932-0027
  • 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 1932-0027 available by request