Y504-5198 Screening compound: ethyl 2-[{2-[3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

Y504-5198 Screening compound: ethyl 2-[{2-[3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Y504-5198 Screening compound: ethyl 2-[{2-[3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-5198
ethyl 2-[{2-[3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}(ethyl)amino]-4-methyl-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

Y504-5198

Molecular Formula

C18H22F2N4O3S (C18 H22 F2 N4 O3 S)

Compound Name

ethyl 2-[{2-[3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

n/a

SMILES

CCN(C(Cn1nc(C(F)F)c2c1CCC2)=O)c1nc(C)c(C(OCC)=O)s1

InChI

InChI=1S/C18H22F2N4O3S/c1-4-23(18-21-10(3)15(28-18)17(26)27-5-2)13(25)9-24-12-8-6-7-11(12)14(22-24)16(19)20/h16H,4-9H2,1-3H3

InChI Key

JIJBOMJDBANBIX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.941

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-2.95

Polar Surface Area

61.228

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with Y504-5198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-5198?
Check Price and Availability of Y504-5198, 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 Y504-5198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-5198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-5198
  • 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 Y504-5198 available by request