J042-0360 Screening compound: methyl 4-[1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate

J042-0360 Screening compound: methyl 4-[1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate
J042-0360 Screening compound: methyl 4-[1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0360
methyl 4-[1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate

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

J042-0360

Molecular Formula

C26H24N2O4 (C26 H24 N2 O4)

Compound Name

methyl 4-[1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate

IUPAC name

methyl 4-[1-(3-methylbenzoyl)-1234-tetrahydroquinoline-6-amido]benzoate

SMILES

Cc1cccc(C(N(CCC2)c(cc3)c2cc3C(Nc(cc2)ccc2C(OC)=O)=O)=O)c1

InChI

InChI=1S/C26H24N2O4/c1-17-5-3-6-21(15-17)25(30)28-14-4-7-19-16-20(10-13-23(19)28)24(29)27-22-11-8-18(9-12-22)26(31)32-2/h3,5-6,8-13,15-16H,4,7,14H2,1-2H3,(H,27,29)

InChI Key

VAWZPYYHKQJAOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.723

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-4.41

Polar Surface Area

59.816

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

J042-0360 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with J042-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0360?
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What is the minimum amount of J042-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0360
  • 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 J042-0360 available by request