2827-4600 Screening compound: 2-phenoxyethyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2827-4600 Screening compound: 2-phenoxyethyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2827-4600 Screening compound: 2-phenoxyethyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2827-4600
2-phenoxyethyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-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

2827-4600

Molecular Formula

C32H27ClN2O8 (C32 H27 ClN2 O8)

Compound Name

2-phenoxyethyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-phenoxyethyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-2H-13-benzodioxol-5-yl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cc2)ccc2Cl)=C(C2c(cc3OCOc3c3)c3[N+]([O-])=O)C1=O)=C2C(OCCOc1ccccc1)=O

InChI

InChI=1S/C32H27ClN2O8/c1-18-29(32(37)41-12-11-40-22-5-3-2-4-6-22)30(23-15-27-28(43-17-42-27)16-25(23)35(38)39)31-24(34-18)13-20(14-26(31)36)19-7-9-21(33)10-8-19/h2-10,15-16,20,30,34H,11-14,17H2,1H3

InChI Key

HMSLXYWQUMROCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.03

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.467

Distribution Coefficient, logD

1.986

Water Solubility, LogSw

-6.36

Polar Surface Area

102.040

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

2827-4600 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 2827-4600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2827-4600?
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What is the minimum amount of 2827-4600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2827-4600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2827-4600
  • 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 2827-4600 available by request