1883-0013 Screening compound: butyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1883-0013 Screening compound: butyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1883-0013 Screening compound: butyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1883-0013
butyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-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

1883-0013

Molecular Formula

C25H32N2O7 (C25 H32 N2 O7)

Compound Name

butyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

butyl 4-(45-dimethoxy-2-nitrophenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCCOC(C(C1c(cc(c(OC)c2)OC)c2[N+]([O-])=O)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C25H32N2O7/c1-7-8-9-34-24(29)21-14(2)26-16-12-25(3,4)13-18(28)23(16)22(21)15-10-19(32-5)20(33-6)11-17(15)27(30)31/h10-11,22,26H,7-9,12-13H2,1-6H3/t22-/m0/s1

InChI Key

SSEPQPYFPJXSGR-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00816336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.358

Distribution Coefficient, logD

0.071

Water Solubility, LogSw

-4.47

Polar Surface Area

93.310

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with 1883-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1883-0013?
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What is the minimum amount of 1883-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1883-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1883-0013
  • 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 1883-0013 available by request