5948-4187 Screening compound: 6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-2H,8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile

5948-4187 Screening compound: 6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-2H,8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
5948-4187 Screening compound: 6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-2H,8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5948-4187
6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-2H,8H-[1,3]dioxolo[4,5-g]chromene-7-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

5948-4187

Molecular Formula

C25H20N2O5 (C25 H20 N2 O5)

Compound Name

6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-2H,8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile

IUPAC name

6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-2H8H-[13]dioxolo[45-g]chromene-7-carbonitrile

SMILES

COc(cc(C1C(C#N)=C(N)Oc2c1cc1OCOc1c2)cc1)c1OCc1ccccc1

InChI

InChI=1S/C25H20N2O5/c1-28-21-9-16(7-8-19(21)29-13-15-5-3-2-4-6-15)24-17-10-22-23(31-14-30-22)11-20(17)32-25(27)18(24)12-26/h2-11,24H,13-14,27H2,1H3/t24-/m1/s1

InChI Key

XVLZQJSQVKBDHN-XMMPIXPASA-N

MDL Number (MFCD)

MFCD05150133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-4.31

Polar Surface Area

78.354

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

5948-4187 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5948-4187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5948-4187?
Check Price and Availability of 5948-4187, 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 5948-4187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5948-4187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5948-4187
  • 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 5948-4187 available by request