1630-0890 Screening compound: cyclopentyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

1630-0890 Screening compound: cyclopentyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
1630-0890 Screening compound: cyclopentyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0890
cyclopentyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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

1630-0890

Molecular Formula

C24H28N2O5 (C24 H28 N2 O5)

Compound Name

cyclopentyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

n/a

SMILES

CC(C)(C1)CC(NC(C)=C(C2c3cccc([N+]([O-])=O)c3)C(OC3CCCC3)=O)=C2C1=O

InChI

InChI=1S/C24H28N2O5/c1-14-20(23(28)31-17-9-4-5-10-17)21(15-7-6-8-16(11-15)26(29)30)22-18(25-14)12-24(2,3)13-19(22)27/h6-8,11,17,21,25H,4-5,9-10,12-13H2,1-3H3/t21-/m0/s1

InChI Key

AOTAPFQWUZIGPJ-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.458

Distribution Coefficient, logD

0.171

Water Solubility, LogSw

-4.46

Polar Surface Area

77.753

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 1630-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0890?
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What is the minimum amount of 1630-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0890
  • 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 1630-0890 available by request