Y500-6368 Screening compound: 4-[3-({[4-(difluoromethyl)-6-methyl-2-pyrimidinyl]sulfanyl}methyl)-4-methoxyphenyl]-2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Y500-6368 Screening compound: 4-[3-({[4-(difluoromethyl)-6-methyl-2-pyrimidinyl]sulfanyl}methyl)-4-methoxyphenyl]-2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Y500-6368 Screening compound: 4-[3-({[4-(difluoromethyl)-6-methyl-2-pyrimidinyl]sulfanyl}methyl)-4-methoxyphenyl]-2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6368
4-[3-({[4-(difluoromethyl)-6-methyl-2-pyrimidinyl]sulfanyl}methyl)-4-methoxyphenyl]-2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

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

Y500-6368

Molecular Formula

C33H35F2N5O3S (C33 H35 F2 N5 O3 S)

Compound Name

4-[3-({[4-(difluoromethyl)-6-methyl-2-pyrimidinyl]sulfanyl}methyl)-4-methoxyphenyl]-2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

IUPAC name

4-[3-({[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]-277-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc3)cc(CSc4nc(C(F)F)cc(C)n4)c3OC)C(Nc3ncc(C)cc3)=O)=C2C1=O

InChI

InChI=1S/C33H35F2N5O3S/c1-17-7-10-26(36-15-17)40-31(42)27-19(3)38-23-13-33(4,5)14-24(41)29(23)28(27)20-8-9-25(43-6)21(12-20)16-44-32-37-18(2)11-22(39-32)30(34)35/h7-12,15,28,30,38H,13-14,16H2,1-6H3,(H,36,40,42)/t28-/m0/s1

InChI Key

HEGZDHXSJVILOC-NDEPHWFRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

619.74

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.041

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-5.37

Polar Surface Area

81.176

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with Y500-6368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6368?
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What is the minimum amount of Y500-6368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6368
  • 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 Y500-6368 available by request