Y020-5147 Screening compound: 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate

Y020-5147 Screening compound: 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate
Y020-5147 Screening compound: 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5147
1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-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

Y020-5147

Molecular Formula

C26H20ClN3O7 (C26 H20 ClN3 O7)

Compound Name

1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate

IUPAC name

1-(4-chloro-3-nitrobenzoyl)-224-trimethyl-12-dihydroquinolin-6-yl 2-nitrobenzoate

SMILES

CC1(C)N(C(c(cc2)cc([N+]([O-])=O)c2Cl)=O)c(ccc(OC(c(cccc2)c2[N+]([O-])=O)=O)c2)c2C(C)=C1

InChI

InChI=1S/C26H20ClN3O7/c1-15-14-26(2,3)28(24(31)16-8-10-20(27)23(12-16)30(35)36)21-11-9-17(13-19(15)21)37-25(32)18-6-4-5-7-22(18)29(33)34/h4-14H,1-3H3

InChI Key

ZSZOHMSKZVHTQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01952790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.91

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.556

Water Solubility, LogSw

-5.84

Polar Surface Area

100.863

Acid Dissociation Constant (pKa)

29.90

Base Dissociation Constant (pKb)

-5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

Y020-5147 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y020-5147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5147?
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What is the minimum amount of Y020-5147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5147
  • 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 Y020-5147 available by request