Y020-6872 Screening compound: 2,2,4-trimethyl-1-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-1,2-dihydroquinolin-6-yl (2E)-3-(3-nitrophenyl)prop-2-enoate

Y020-6872 Screening compound: 2,2,4-trimethyl-1-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-1,2-dihydroquinolin-6-yl (2E)-3-(3-nitrophenyl)prop-2-enoate
Y020-6872 Screening compound: 2,2,4-trimethyl-1-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-1,2-dihydroquinolin-6-yl (2E)-3-(3-nitrophenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6872
2,2,4-trimethyl-1-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-1,2-dihydroquinolin-6-yl (2E)-3-(3-nitrophenyl)prop-2-enoate

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

Y020-6872

Molecular Formula

C30H25N3O7 (C30 H25 N3 O7)

Compound Name

2,2,4-trimethyl-1-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-1,2-dihydroquinolin-6-yl (2E)-3-(3-nitrophenyl)prop-2-enoate

IUPAC name

224-trimethyl-1-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-12-dihydroquinolin-6-yl (2E)-3-(3-nitrophenyl)prop-2-enoate

SMILES

CC1(C)N(C(/C=C/c2cc([N+]([O-])=O)ccc2)=O)c(ccc(OC(/C=C/c2cccc([N+]([O-])=O)c2)=O)c2)c2C(C)=C1

InChI

InChI=1S/C30H25N3O7/c1-20-19-30(2,3)31(28(34)14-10-21-6-4-8-23(16-21)32(36)37)27-13-12-25(18-26(20)27)40-29(35)15-11-22-7-5-9-24(17-22)33(38)39/h4-19H,1-3H3

InChI Key

CYZDYAUSYHUFHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03903968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.564

Distribution Coefficient, logD

6.564

Water Solubility, LogSw

-5.77

Polar Surface Area

100.343

Acid Dissociation Constant (pKa)

30.05

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

Y020-6872 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-6872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6872?
Check Price and Availability of Y020-6872, 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 Y020-6872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6872
  • 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 Y020-6872 available by request