3239-0012 Screening compound: N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide

3239-0012 Screening compound: N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide
3239-0012 Screening compound: N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3239-0012
N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}furan-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

3239-0012

Molecular Formula

C14H10FN3O3S (C14 H10 FN3 O3 S)

Compound Name

N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide

IUPAC name

N-{5-[(2-fluorophenoxy)methyl]-134-thiadiazol-2-yl}furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc1nnc(COc(cccc2)c2F)s1

InChI

InChI=1S/C14H10FN3O3S/c15-9-4-1-2-5-10(9)21-8-12-17-18-14(22-12)16-13(19)11-6-3-7-20-11/h1-7H,8H2,(H,16,18,19)

InChI Key

OHHUTWLJXHGGJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02032940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.898

Distribution Coefficient, logD

2.287

Water Solubility, LogSw

-3.45

Polar Surface Area

63.262

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

3239-0012 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3239-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3239-0012?
Check Price and Availability of 3239-0012, 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 3239-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3239-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3239-0012
  • 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 3239-0012 available by request