D538-0214 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-fluoro-4-oxo-4H-chromene-2-carboxamide

D538-0214 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-fluoro-4-oxo-4H-chromene-2-carboxamide
D538-0214 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-fluoro-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D538-0214
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-fluoro-4-oxo-4H-chromene-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

D538-0214

Molecular Formula

C14H10FN3O3S2 (C14 H10 FN3 O3 S2)

Compound Name

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-fluoro-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-6-fluoro-4-oxo-4H-chromene-2-carboxamide

SMILES

CCSc1nnc(NC(C(Oc(cc2)c3cc2F)=CC3=O)=O)s1

InChI

InChI=1S/C14H10FN3O3S2/c1-2-22-14-18-17-13(23-14)16-12(20)11-6-9(19)8-5-7(15)3-4-10(8)21-11/h3-6H,2H2,1H3,(H,16,17,20)

InChI Key

YMCONGOCBXHYFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.846

Distribution Coefficient, logD

3.692

Water Solubility, LogSw

-3.96

Polar Surface Area

68.054

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D538-0214 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D538-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D538-0214?
Check Price and Availability of D538-0214, 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 D538-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D538-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D538-0214
  • 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 D538-0214 available by request