8003-4577 Screening compound: isopropyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate

8003-4577 Screening compound: isopropyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate
8003-4577 Screening compound: isopropyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4577
isopropyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-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

8003-4577

Molecular Formula

C27H28N4O4S (C27 H28 N4 O4 S)

Compound Name

isopropyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate

IUPAC name

propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-456-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate

SMILES

CC(C)OC(C(C1c(cccc2)c2OC)=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C1C#N)=O

InChI

InChI=1S/C27H28N4O4S/c1-14(2)34-27(32)24-22(13-36-26-19(11-28)16(4)15(3)17(5)31-26)35-25(30)20(12-29)23(24)18-9-7-8-10-21(18)33-6/h7-10,14,23H,13,30H2,1-6H3/t23-/m0/s1

InChI Key

KRSYKDUMPHLAGH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00743885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.989

Distribution Coefficient, logD

4.989

Water Solubility, LogSw

-4.93

Polar Surface Area

101.059

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8003-4577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4577?
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What is the minimum amount of 8003-4577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4577
  • 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 8003-4577 available by request