C202-3537 Screening compound: ethyl 4-[3-(acetylcarbamoyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-1-yl]benzoate

C202-3537 Screening compound: ethyl 4-[3-(acetylcarbamoyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-1-yl]benzoate
C202-3537 Screening compound: ethyl 4-[3-(acetylcarbamoyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3537
ethyl 4-[3-(acetylcarbamoyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-1-yl]benzoate

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

C202-3537

Molecular Formula

C23H24N2O6 (C23 H24 N2 O6)

Compound Name

ethyl 4-[3-(acetylcarbamoyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-1-yl]benzoate

IUPAC name

ethyl 4-[3-(acetylcarbamoyl)-77-dimethyl-25-dioxo-125678-hexahydroquinolin-1-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC(C)(C)C1)=C(C=C2C(NC(C)=O)=O)C1=O)C2=O)=O

InChI

InChI=1S/C23H24N2O6/c1-5-31-22(30)14-6-8-15(9-7-14)25-18-11-23(3,4)12-19(27)16(18)10-17(21(25)29)20(28)24-13(2)26/h6-10H,5,11-12H2,1-4H3,(H,24,26,28)

InChI Key

OGDJGSGXKJZBOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.708

Distribution Coefficient, logD

0.852

Water Solubility, LogSw

-2.35

Polar Surface Area

86.774

Acid Dissociation Constant (pKa)

6.61

Base Dissociation Constant (pKb)

-7.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C202-3537 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-3537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3537?
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What is the minimum amount of C202-3537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3537
  • 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 C202-3537 available by request