L372-0789 Screening compound: N-(butan-2-yl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

L372-0789 Screening compound: N-(butan-2-yl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
L372-0789 Screening compound: N-(butan-2-yl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L372-0789
N-(butan-2-yl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-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

L372-0789

Molecular Formula

C21H21F3N2O3 (C21 H21 F3 N2 O3)

Compound Name

N-(butan-2-yl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-(butan-2-yl)-25-dioxo-1-[4-(trifluoromethyl)phenyl]-125678-hexahydroquinoline-3-carboxamide

SMILES

CCC(C)NC(C1=CC(C(CCC2)=O)=C2N(c2ccc(C(F)(F)F)cc2)C1=O)=O

InChI

InChI=1S/C21H21F3N2O3/c1-3-12(2)25-19(28)16-11-15-17(5-4-6-18(15)27)26(20(16)29)14-9-7-13(8-10-14)21(22,23)24/h7-12H,3-6H2,1-2H3,(H,25,28)/t12-/m0/s1

InChI Key

NFNMXHIGWFVDBD-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD15125669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.891

Distribution Coefficient, logD

2.891

Water Solubility, LogSw

-3.62

Polar Surface Area

52.706

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

L372-0789 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L372-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L372-0789?
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What is the minimum amount of L372-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L372-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L372-0789
  • 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 L372-0789 available by request