Y500-8055 Screening compound: methyl 2-{(Z)-1-[3-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridyl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6(3H)-carboxylate

Y500-8055 Screening compound: methyl 2-{(Z)-1-[3-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridyl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6(3H)-carboxylate
Y500-8055 Screening compound: methyl 2-{(Z)-1-[3-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridyl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6(3H)-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-8055
methyl 2-{(Z)-1-[3-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridyl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6(3H)-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

Y500-8055

Molecular Formula

C34H31F2N5O4S2 (C34 H31 F2 N5 O4 S2)

Compound Name

methyl 2-{(Z)-1-[3-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridyl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6(3H)-carboxylate

IUPAC name

methyl (2Z)-2-{[3-({[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

Cc(cc(C(F)F)nc1SCc(cc(/C=C(/C(N2C3c(cc4)ccc4N(C)C)=O)\SC2=NC(C)=C3C(OC)=O)cc2)c2OC)c1C#N

InChI

InChI=1S/C34H31F2N5O4S2/c1-18-13-25(30(35)36)39-31(24(18)16-37)46-17-22-14-20(7-12-26(22)44-5)15-27-32(42)41-29(21-8-10-23(11-9-21)40(3)4)28(33(43)45-6)19(2)38-34(41)47-27/h7-15,29-30H,17H2,1-6H3/t29-/m1/s1

InChI Key

JJQNCJKUAQLHDU-GDLZYMKVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

675.78

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.094

Distribution Coefficient, logD

6.080

Water Solubility, LogSw

-5.64

Polar Surface Area

82.135

Acid Dissociation Constant (pKa)

24.72

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.47

References: we are preparing a list of scientific research reports with Y500-8055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-8055?
Check Price and Availability of Y500-8055, 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 Y500-8055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-8055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-8055
  • 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 Y500-8055 available by request