6049-0088 Screening compound: 2-amino-4-[3-ethoxy-4-(propan-2-yloxy)phenyl]-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile

6049-0088 Screening compound: 2-amino-4-[3-ethoxy-4-(propan-2-yloxy)phenyl]-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
6049-0088 Screening compound: 2-amino-4-[3-ethoxy-4-(propan-2-yloxy)phenyl]-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0088
2-amino-4-[3-ethoxy-4-(propan-2-yloxy)phenyl]-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile

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

6049-0088

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

2-amino-4-[3-ethoxy-4-(propan-2-yloxy)phenyl]-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile

IUPAC name

2-amino-4-[3-ethoxy-4-(propan-2-yloxy)phenyl]-7-methyl-5-oxo-4H5H-pyrano[32-c]pyran-3-carbonitrile

SMILES

CCOc(cc(C1C(C#N)=C(N)OC(C=C(C)O2)=C1C2=O)cc1)c1OC(C)C

InChI

InChI=1S/C21H22N2O5/c1-5-25-16-9-13(6-7-15(16)26-11(2)3)18-14(10-22)20(23)28-17-8-12(4)27-21(24)19(17)18/h6-9,11,18H,5,23H2,1-4H3/t18-/m1/s1

InChI Key

LCPWRRVPNVPLEX-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02950159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.165

Distribution Coefficient, logD

2.165

Water Solubility, LogSw

-2.79

Polar Surface Area

82.988

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

6049-0088 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6049-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0088?
Check Price and Availability of 6049-0088, 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 6049-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0088
  • 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 6049-0088 available by request