5948-4222 Screening compound: 6-amino-8-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-2H,8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile

5948-4222 Screening compound: 6-amino-8-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-2H,8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
5948-4222 Screening compound: 6-amino-8-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-2H,8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5948-4222
6-amino-8-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-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

5948-4222

Molecular Formula

C22H19BrN2O5 (C22 H19 BrN2 O5)

Compound Name

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

IUPAC name

6-amino-8-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-2H8H-[13]dioxolo[45-g]chromene-7-carbonitrile

SMILES

CCOc1cc(C2C(C#N)=C(N)Oc3c2cc2OCOc2c3)cc(Br)c1OCC=C

InChI

InChI=1S/C22H19BrN2O5/c1-3-5-27-21-15(23)6-12(7-19(21)26-4-2)20-13-8-17-18(29-11-28-17)9-16(13)30-22(25)14(20)10-24/h3,6-9,20H,1,4-5,11,25H2,2H3/t20-/m0/s1

InChI Key

QQUFONGBWCVQLN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03996435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.30

Polar Surface Area

78.211

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

5948-4222 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5948-4222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5948-4222?
Check Price and Availability of 5948-4222, 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 5948-4222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5948-4222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5948-4222
  • 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 5948-4222 available by request