D269-0549 Screening compound: N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-oxo-2H-chromene-3-carboxamide

D269-0549 Screening compound: N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-oxo-2H-chromene-3-carboxamide
D269-0549 Screening compound: N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D269-0549
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-oxo-2H-chromene-3-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

D269-0549

Molecular Formula

C18H10FN3O3S (C18 H10 FN3 O3 S)

Compound Name

N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-[3-(4-fluorophenyl)-124-thiadiazol-5-yl]-2-oxo-2H-chromene-3-carboxamide

SMILES

O=C(C1=Cc(cccc2)c2OC1=O)Nc1nc(-c(cc2)ccc2F)ns1

InChI

InChI=1S/C18H10FN3O3S/c19-12-7-5-10(6-8-12)15-20-18(26-22-15)21-16(23)13-9-11-3-1-2-4-14(11)25-17(13)24/h1-9H,(H,20,21,22,23)

InChI Key

AHEHWRDGKFXQPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08549594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

3.821

Water Solubility, LogSw

-4.46

Polar Surface Area

64.839

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D269-0549 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D269-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D269-0549?
Check Price and Availability of D269-0549, 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 D269-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D269-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D269-0549
  • 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 D269-0549 available by request