C276-1526 Screening compound: methyl 4-(3,4-dichlorophenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate

C276-1526 Screening compound: methyl 4-(3,4-dichlorophenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
C276-1526 Screening compound: methyl 4-(3,4-dichlorophenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1526
methyl 4-(3,4-dichlorophenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-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

C276-1526

Molecular Formula

C18H17Cl2NO4 (C18 H17 Cl2 NO4)

Compound Name

methyl 4-(3,4-dichlorophenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate

IUPAC name

methyl 4-(34-dichlorophenyl)-7-methyl-25-dioxo-12345678-octahydroquinoline-6-carboxylate

SMILES

CC(CC(NC(C1)=O)=C2C1c(cc1)cc(Cl)c1Cl)C(C(OC)=O)C2=O

InChI

InChI=1S/C18H17Cl2NO4/c1-8-5-13-16(17(23)15(8)18(24)25-2)10(7-14(22)21-13)9-3-4-11(19)12(20)6-9/h3-4,6,8,10,15H,5,7H2,1-2H3,(H,21,22)

InChI Key

ZEPMZIVJWHYAGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07402491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.358

Distribution Coefficient, logD

2.666

Water Solubility, LogSw

-3.57

Polar Surface Area

59.079

Acid Dissociation Constant (pKa)

6.81

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.90

C276-1526 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 C276-1526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1526?
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What is the minimum amount of C276-1526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1526
  • 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 C276-1526 available by request