3738-0378 Screening compound: 2-(3-bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate

3738-0378 Screening compound: 2-(3-bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate
3738-0378 Screening compound: 2-(3-bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3738-0378
2-(3-bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl 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

3738-0378

Molecular Formula

C20H22BrNO2 (C20 H22 BrNO2)

Compound Name

2-(3-bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate

IUPAC name

2-(3-bromophenyl)-336-trimethyl-1234-tetrahydroquinolin-4-yl acetate

SMILES

CC(C)(C(c1cccc(Br)c1)Nc1c2cc(C)cc1)C2OC(C)=O

InChI

InChI=1S/C20H22BrNO2/c1-12-8-9-17-16(10-12)19(24-13(2)23)20(3,4)18(22-17)14-6-5-7-15(21)11-14/h5-11,18-19,22H,1-4H3

InChI Key

QQRRSFLCOHSLBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.3

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

5.787

Distribution Coefficient, logD

5.787

Water Solubility, LogSw

-5.51

Polar Surface Area

32.186

Acid Dissociation Constant (pKa)

19.83

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

3738-0378 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3738-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3738-0378?
Check Price and Availability of 3738-0378, 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 3738-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3738-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3738-0378
  • 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 3738-0378 available by request