8003-8201 Screening compound: ethyl 6-amino-5-cyano-2-methyl-4-(2,4,6-trimethyl-3,5-dinitrophenyl)-4H-pyran-3-carboxylate

8003-8201 Screening compound: ethyl 6-amino-5-cyano-2-methyl-4-(2,4,6-trimethyl-3,5-dinitrophenyl)-4H-pyran-3-carboxylate
8003-8201 Screening compound: ethyl 6-amino-5-cyano-2-methyl-4-(2,4,6-trimethyl-3,5-dinitrophenyl)-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8201
ethyl 6-amino-5-cyano-2-methyl-4-(2,4,6-trimethyl-3,5-dinitrophenyl)-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

8003-8201

Molecular Formula

C19H20N4O7 (C19 H20 N4 O7)

Compound Name

ethyl 6-amino-5-cyano-2-methyl-4-(2,4,6-trimethyl-3,5-dinitrophenyl)-4H-pyran-3-carboxylate

IUPAC name

ethyl 6-amino-5-cyano-2-methyl-4-(246-trimethyl-35-dinitrophenyl)-4H-pyran-3-carboxylate

SMILES

CCOC(C(C1c2c(C)c([N+]([O-])=O)c(C)c([N+]([O-])=O)c2C)=C(C)OC(N)=C1C#N)=O

InChI

InChI=1S/C19H20N4O7/c1-6-29-19(24)14-11(5)30-18(21)12(7-20)15(14)13-8(2)16(22(25)26)10(4)17(9(13)3)23(27)28/h15H,6,21H2,1-5H3/t15-/m1/s1

InChI Key

XRODBMNYTAYFTM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00340329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.39

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.401

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-3.69

Polar Surface Area

133.006

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 8003-8201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8201?
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What is the minimum amount of 8003-8201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8201
  • 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 8003-8201 available by request