Y031-3331 Screening compound: 3-fluoro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide

Y031-3331 Screening compound: 3-fluoro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
Y031-3331 Screening compound: 3-fluoro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3331
3-fluoro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide

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

Y031-3331

Molecular Formula

C18H16FN3O2S (C18 H16 FN3 O2 S)

Compound Name

3-fluoro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

3-fluoro-N-[5-(3-phenoxypropyl)-134-thiadiazol-2-yl]benzamide

SMILES

O=C(c1cc(F)ccc1)Nc1nnc(CCCOc2ccccc2)s1

InChI

InChI=1S/C18H16FN3O2S/c19-14-7-4-6-13(12-14)17(23)20-18-22-21-16(25-18)10-5-11-24-15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11H2,(H,20,22,23)

InChI Key

MRMUJBMMIUGEKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07151954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-4.33

Polar Surface Area

54.516

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y031-3331 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 Y031-3331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3331?
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What is the minimum amount of Y031-3331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3331
  • 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 Y031-3331 available by request