C142-0251 Screening compound: 6-methyl 3-propan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0251 Screening compound: 6-methyl 3-propan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0251 Screening compound: 6-methyl 3-propan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0251
6-methyl 3-propan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7-dimethyl-5-oxo-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

C142-0251

Molecular Formula

C24H28ClNO7 (C24 H28 ClNO7)

Compound Name

6-methyl 3-propan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

6-methyl 3-propan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-27-dimethyl-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CC(C)OC(C(C1c(cc2OC)cc(Cl)c2O)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C24H28ClNO7/c1-10(2)33-24(30)18-12(4)26-15-7-11(3)17(23(29)32-6)22(28)20(15)19(18)13-8-14(25)21(27)16(9-13)31-5/h8-11,17,19,26-27H,7H2,1-6H3

InChI Key

WNOWJXMUURPORJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06008236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.128

Distribution Coefficient, logD

0.294

Water Solubility, LogSw

-3.99

Polar Surface Area

88.536

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

45.80

C142-0251 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C142-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C142-0251?
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What is the minimum amount of C142-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0251
  • 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 C142-0251 available by request