3738-0358 Screening compound: 2-(4-chlorophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydro-4-quinolinyl acetate

3738-0358 Screening compound: 2-(4-chlorophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydro-4-quinolinyl acetate
3738-0358 Screening compound: 2-(4-chlorophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydro-4-quinolinyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3738-0358
2-(4-chlorophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydro-4-quinolinyl acetate

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

3738-0358

Molecular Formula

C20H22ClNO2 (C20 H22 ClNO2)

Compound Name

2-(4-chlorophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydro-4-quinolinyl acetate

IUPAC name

2-(4-chlorophenyl)-336-trimethyl-1234-tetrahydroquinolin-4-yl acetate

SMILES

CC(C)(C(c(cc1)ccc1Cl)Nc1c2cc(C)cc1)C2OC(C)=O

InChI

InChI=1S/C20H22ClNO2/c1-12-5-10-17-16(11-12)19(24-13(2)23)20(3,4)18(22-17)14-6-8-15(21)9-7-14/h5-11,18-19,22H,1-4H3

InChI Key

DNAUMWVOXBLKHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.437

Distribution Coefficient, logD

5.437

Water Solubility, LogSw

-6.14

Polar Surface Area

32.186

Acid Dissociation Constant (pKa)

19.41

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

3738-0358 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3738-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3738-0358?
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What is the minimum amount of 3738-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3738-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3738-0358
  • 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 3738-0358 available by request