5948-4233 Screening compound: 6-amino-8-(2-bromo-5-ethoxy-4-methoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile

5948-4233 Screening compound: 6-amino-8-(2-bromo-5-ethoxy-4-methoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
5948-4233 Screening compound: 6-amino-8-(2-bromo-5-ethoxy-4-methoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5948-4233
6-amino-8-(2-bromo-5-ethoxy-4-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

5948-4233

Molecular Formula

C20H17BrN2O5 (C20 H17 BrN2 O5)

Compound Name

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

IUPAC name

6-amino-8-(2-bromo-5-ethoxy-4-methoxyphenyl)-2H8H-[13]dioxolo[45-g]chromene-7-carbonitrile

SMILES

CCOc(c(OC)c1)cc(C2C(C#N)=C(N)Oc3c2cc2OCOc2c3)c1Br

InChI

InChI=1S/C20H17BrN2O5/c1-3-25-16-4-10(13(21)6-15(16)24-2)19-11-5-17-18(27-9-26-17)7-14(11)28-20(23)12(19)8-22/h4-7,19H,3,9,23H2,1-2H3/t19-/m1/s1

InChI Key

AGQNPALFWXOTBN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04127415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.851

Distribution Coefficient, logD

2.851

Water Solubility, LogSw

-3.16

Polar Surface Area

78.250

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5948-4233 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5948-4233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5948-4233?
Check Price and Availability of 5948-4233, 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 5948-4233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5948-4233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5948-4233
  • 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 5948-4233 available by request