8012-9033 Screening compound: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-diethylaniline

8012-9033 Screening compound: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-diethylaniline
8012-9033 Screening compound: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-diethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9033
4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-diethylaniline

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

8012-9033

Molecular Formula

C23H32N2O2 (C23 H32 N2 O2)

Compound Name

4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-diethylaniline

IUPAC name

4-(67-diethoxy-1234-tetrahydroisoquinolin-1-yl)-NN-diethylaniline

SMILES

CCN(CC)c1ccc(C(c2c3)NCCc2cc(OCC)c3OCC)cc1

InChI

InChI=1S/C23H32N2O2/c1-5-25(6-2)19-11-9-17(10-12-19)23-20-16-22(27-8-4)21(26-7-3)15-18(20)13-14-24-23/h9-12,15-16,23-24H,5-8,13-14H2,1-4H3/t23-/m0/s1

InChI Key

JEVAYPSUASEISM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03308633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

1.039

Water Solubility, LogSw

-3.25

Polar Surface Area

29.315

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

8012-9033 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8012-9033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9033?
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What is the minimum amount of 8012-9033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9033
  • 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 8012-9033 available by request