C142-0005 Screening compound: 3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0005 Screening compound: 3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0005 Screening compound: 3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0005
3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

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

C142-0005

Molecular Formula

C27H29NO8 (C27 H29 NO8)

Compound Name

3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

3-(2-ethoxyethyl) 6-methyl 27-dimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCOCCOC(C(C1C2=COc(cccc3)c3C2=O)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C27H29NO8/c1-5-34-10-11-35-27(32)21-15(3)28-18-12-14(2)20(26(31)33-4)25(30)23(18)22(21)17-13-36-19-9-7-6-8-16(19)24(17)29/h6-9,13-14,20,22,28H,5,10-12H2,1-4H3

InChI Key

FDBWGZRAOYDOBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.796

Distribution Coefficient, logD

-1.227

Water Solubility, LogSw

-3.58

Polar Surface Area

94.912

Acid Dissociation Constant (pKa)

3.38

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.70

C142-0005 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C142-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C142-0005?
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What is the minimum amount of C142-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0005
  • 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 C142-0005 available by request