2859-0376 Screening compound: 1-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinoline

2859-0376 Screening compound: 1-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinoline
2859-0376 Screening compound: 1-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2859-0376
1-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-2,2,4-trimethyl-4-phenyl-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

2859-0376

Molecular Formula

C27H23ClN2O3S (C27 H23 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CC1(C)c2ccccc2)N(C(c(sc2c3ccc([N+]([O-])=O)c2)c3Cl)=O)c2c1cccc2

InChI

InChI=1S/C27H23ClN2O3S/c1-26(2)16-27(3,17-9-5-4-6-10-17)20-11-7-8-12-21(20)29(26)25(31)24-23(28)19-14-13-18(30(32)33)15-22(19)34-24/h4-15H,16H2,1-3H3/t27-/m0/s1

InChI Key

HPSZDJFYTVXRQH-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01796239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.01

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

7.304

Distribution Coefficient, logD

7.304

Water Solubility, LogSw

-6.50

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

2859-0376 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 2859-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2859-0376?
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What is the minimum amount of 2859-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2859-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2859-0376
  • 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 2859-0376 available by request