5451-0214 Screening compound: 1-(allyloxy)-7,8-dibromo-4-chloro-3-fluoro[1,4]benzodioxino[2,3-c]pyridine

5451-0214 Screening compound: 1-(allyloxy)-7,8-dibromo-4-chloro-3-fluoro[1,4]benzodioxino[2,3-c]pyridine
5451-0214 Screening compound: 1-(allyloxy)-7,8-dibromo-4-chloro-3-fluoro[1,4]benzodioxino[2,3-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5451-0214
1-(allyloxy)-7,8-dibromo-4-chloro-3-fluoro[1,4]benzodioxino[2,3-c]pyridine

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

5451-0214

Molecular Formula

C14H7Br2ClFNO3 (C14 H7 Br2 ClFNO3)

Compound Name

1-(allyloxy)-7,8-dibromo-4-chloro-3-fluoro[1,4]benzodioxino[2,3-c]pyridine

IUPAC name

1213-dibromo-7-chloro-6-fluoro-4-(prop-2-en-1-yloxy)-29-dioxa-5-azatricyclo[8.4.0.0^{38}]tetradeca-1(10)3571113-hexaene

SMILES

C=CCOc(c(Oc1c2)c3Oc1cc(Br)c2Br)nc(F)c3Cl

InChI

InChI=1S/C14H7Br2ClFNO3/c1-2-3-20-14-12-11(10(17)13(18)19-14)21-8-4-6(15)7(16)5-9(8)22-12/h2,4-5H,1,3H2

InChI Key

SCNMIVRRGVUMPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03670901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.540

Distribution Coefficient, logD

6.540

Water Solubility, LogSw

-6.91

Polar Surface Area

33.028

Acid Dissociation Constant (pKa)

28.90

Base Dissociation Constant (pKb)

-6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

5451-0214 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5451-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5451-0214?
Check Price and Availability of 5451-0214, 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 5451-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5451-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5451-0214
  • 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 5451-0214 available by request