3607-5701 Screening compound: 2-(propan-2-yloxy)ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3607-5701 Screening compound: 2-(propan-2-yloxy)ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3607-5701 Screening compound: 2-(propan-2-yloxy)ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3607-5701
2-(propan-2-yloxy)ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-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

3607-5701

Molecular Formula

C24H30N2O6 (C24 H30 N2 O6)

Compound Name

2-(propan-2-yloxy)ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-(propan-2-yloxy)ethyl 277-trimethyl-4-(4-nitrophenyl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OCCOC(C(C1c(cc2)ccc2[N+]([O-])=O)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C24H30N2O6/c1-14(2)31-10-11-32-23(28)20-15(3)25-18-12-24(4,5)13-19(27)22(18)21(20)16-6-8-17(9-7-16)26(29)30/h6-9,14,21,25H,10-13H2,1-5H3/t21-/m0/s1

InChI Key

ACAIXZHGKFATEX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02104500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

-0.617

Water Solubility, LogSw

-3.95

Polar Surface Area

85.552

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3607-5701 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3607-5701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3607-5701?
Check Price and Availability of 3607-5701, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3607-5701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3607-5701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3607-5701
  • 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 3607-5701 available by request