D269-0550 Screening compound: N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

D269-0550 Screening compound: N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
D269-0550 Screening compound: N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D269-0550
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

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

D269-0550

Molecular Formula

C17H12FN3O3S (C17 H12 FN3 O3 S)

Compound Name

N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-[3-(4-fluorophenyl)-124-thiadiazol-5-yl]-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

O=C(C1Oc(cccc2)c2OC1)Nc1nc(-c(cc2)ccc2F)ns1

InChI

InChI=1S/C17H12FN3O3S/c18-11-7-5-10(6-8-11)15-19-17(25-21-15)20-16(22)14-9-23-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2,(H,19,20,21,22)/t14-/m0/s1

InChI Key

RHEDXMUFLQOGPA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08549593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-4.42

Polar Surface Area

59.354

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

D269-0550 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D269-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D269-0550?
Check Price and Availability of D269-0550, 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 D269-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D269-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D269-0550
  • 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 D269-0550 available by request