0DOU-0240 Screening compound: methyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

0DOU-0240 Screening compound: methyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
0DOU-0240 Screening compound: methyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0DOU-0240
methyl 2,7,7-trimethyl-4-(3-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

0DOU-0240

Molecular Formula

C20H22N2O5 (C20 H22 N2 O5)

Compound Name

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

IUPAC name

methyl 277-trimethyl-4-(3-nitrophenyl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-11-16(19(24)27-4)17(12-6-5-7-13(8-12)22(25)26)18-14(21-11)9-20(2,3)10-15(18)23/h5-8,17,21H,9-10H2,1-4H3/t17-/m0/s1

InChI Key

PICCUHFXOBODDU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00354521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

-1.038

Water Solubility, LogSw

-3.49

Polar Surface Area

78.477

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

0DOU-0240 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0DOU-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0DOU-0240?
Check Price and Availability of 0DOU-0240, 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 0DOU-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0DOU-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0DOU-0240
  • 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 0DOU-0240 available by request