4023-0687 Screening compound: 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

4023-0687 Screening compound: 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4023-0687 Screening compound: 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4023-0687
2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

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

4023-0687

Molecular Formula

C26H24F3N3O4 (C26 H24 F3 N3 O4)

Compound Name

2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

277-trimethyl-4-(3-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(NC(C)=C(C2c3cc([N+]([O-])=O)ccc3)C(Nc3cccc(C(F)(F)F)c3)=O)=C2C1=O

InChI

InChI=1S/C26H24F3N3O4/c1-14-21(24(34)31-17-8-5-7-16(11-17)26(27,28)29)22(15-6-4-9-18(10-15)32(35)36)23-19(30-14)12-25(2,3)13-20(23)33/h4-11,22,30H,12-13H2,1-3H3,(H,31,34)/t22-/m0/s1

InChI Key

QLEZFXGCCLVNDH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14709482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.347

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-5.53

Polar Surface Area

80.394

Acid Dissociation Constant (pKa)

5.46

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

4023-0687 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4023-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4023-0687?
Check Price and Availability of 4023-0687, 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 4023-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4023-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4023-0687
  • 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 4023-0687 available by request