Y020-5326 Screening compound: 2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-chloro-5-nitrobenzoate

Y020-5326 Screening compound: 2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-chloro-5-nitrobenzoate
Y020-5326 Screening compound: 2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-chloro-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5326
2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-chloro-5-nitrobenzoate

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

Y020-5326

Molecular Formula

C19H19ClN2O4 (C19 H19 ClN2 O4)

Compound Name

2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-chloro-5-nitrobenzoate

IUPAC name

224-trimethyl-1234-tetrahydroquinolin-6-yl 2-chloro-5-nitrobenzoate

SMILES

CC1c(cc(cc2)OC(c(cc(cc3)[N+]([O-])=O)c3Cl)=O)c2NC(C)(C)C1

InChI

InChI=1S/C19H19ClN2O4/c1-11-10-19(2,3)21-17-7-5-13(9-14(11)17)26-18(23)15-8-12(22(24)25)4-6-16(15)20/h4-9,11,21H,10H2,1-3H3/t11-/m0/s1

InChI Key

ZJRCBYIFIFQBLY-NSHDSACASA-N

MDL Number (MFCD)

MFCD02817102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.815

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.98

Polar Surface Area

65.197

Acid Dissociation Constant (pKa)

20.53

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

Y020-5326 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-5326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5326?
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What is the minimum amount of Y020-5326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5326
  • 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 Y020-5326 available by request