Y501-3411 Screening compound: ethyl 4-({[3-cyano-4-cyclopropyl-6-(difluoromethyl)-2-pyridyl]sulfanyl}methyl)-2-(propylamino)-1,3-thiazole-5-carboxylate

Y501-3411 Screening compound: ethyl 4-({[3-cyano-4-cyclopropyl-6-(difluoromethyl)-2-pyridyl]sulfanyl}methyl)-2-(propylamino)-1,3-thiazole-5-carboxylate
Y501-3411 Screening compound: ethyl 4-({[3-cyano-4-cyclopropyl-6-(difluoromethyl)-2-pyridyl]sulfanyl}methyl)-2-(propylamino)-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-3411
ethyl 4-({[3-cyano-4-cyclopropyl-6-(difluoromethyl)-2-pyridyl]sulfanyl}methyl)-2-(propylamino)-1,3-thiazole-5-carboxylate

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

Y501-3411

Molecular Formula

C20H22F2N4O2S2 (C20 H22 F2 N4 O2 S2)

Compound Name

ethyl 4-({[3-cyano-4-cyclopropyl-6-(difluoromethyl)-2-pyridyl]sulfanyl}methyl)-2-(propylamino)-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 4-({[3-cyano-4-cyclopropyl-6-(difluoromethyl)pyridin-2-yl]sulfanyl}methyl)-2-(propylamino)-13-thiazole-5-carboxylate

SMILES

CCCNc1nc(CSc2nc(C(F)F)cc(C3CC3)c2C#N)c(C(OCC)=O)s1

InChI

InChI=1S/C20H22F2N4O2S2/c1-3-7-24-20-26-15(16(30-20)19(27)28-4-2)10-29-18-13(9-23)12(11-5-6-11)8-14(25-18)17(21)22/h8,11,17H,3-7,10H2,1-2H3,(H,24,26)

InChI Key

KDZJQLOEEYJINA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.415

Distribution Coefficient, logD

5.415

Water Solubility, LogSw

-5.39

Polar Surface Area

68.435

Acid Dissociation Constant (pKa)

17.80

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with Y501-3411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-3411?
Check Price and Availability of Y501-3411, 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 Y501-3411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-3411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-3411
  • 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 Y501-3411 available by request