Y020-5059 Screening compound: 1-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline

Y020-5059 Screening compound: 1-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
Y020-5059 Screening compound: 1-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5059
1-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline

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

Y020-5059

Molecular Formula

C27H22Cl2N2O3S (C27 H22 Cl2 N2 O3 S)

Compound Name

1-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-4-(4-chlorophenyl)-224-trimethyl-1234-tetrahydroquinoline

SMILES

CC(C)(CC1(C)c(cc2)ccc2Cl)N(C(c(sc2c3ccc([N+]([O-])=O)c2)c3Cl)=O)c2c1cccc2

InChI

InChI=1S/C27H22Cl2N2O3S/c1-26(2)15-27(3,16-8-10-17(28)11-9-16)20-6-4-5-7-21(20)30(26)25(32)24-23(29)19-13-12-18(31(33)34)14-22(19)35-24/h4-14H,15H2,1-3H3/t27-/m0/s1

InChI Key

CZUBDSAMSXMHNS-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01796241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.003

Distribution Coefficient, logD

8.003

Water Solubility, LogSw

-6.56

Polar Surface Area

48.181

Acid Dissociation Constant (pKa)

27.15

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

Y020-5059 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y020-5059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5059?
Check Price and Availability of Y020-5059, 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 Y020-5059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5059
  • 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 Y020-5059 available by request