8011-8782 Screening compound: 2-(propan-2-yloxy)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8011-8782 Screening compound: 2-(propan-2-yloxy)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8011-8782 Screening compound: 2-(propan-2-yloxy)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8782
2-(propan-2-yloxy)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

8011-8782

Molecular Formula

C25H32BrNO6 (C25 H32 BrNO6)

Compound Name

2-(propan-2-yloxy)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-(propan-2-yloxy)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OCCOC(C(C1c(cc2OC)cc(Br)c2O)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C25H32BrNO6/c1-13(2)32-7-8-33-24(30)20-14(3)27-17-11-25(4,5)12-18(28)22(17)21(20)15-9-16(26)23(29)19(10-15)31-6/h9-10,13,21,27,29H,7-8,11-12H2,1-6H3/t21-/m0/s1

InChI Key

QWPNVYHKUXBJBE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02188158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

-0.532

Water Solubility, LogSw

-3.95

Polar Surface Area

75.280

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

8011-8782 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8011-8782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8782?
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What is the minimum amount of 8011-8782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8782
  • 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 8011-8782 available by request