8012-6658 Screening compound: 1-(4-bromophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

8012-6658 Screening compound: 1-(4-bromophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
8012-6658 Screening compound: 1-(4-bromophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6658
1-(4-bromophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

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

8012-6658

Molecular Formula

C19H22BrNO2 (C19 H22 BrNO2)

Compound Name

1-(4-bromophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

IUPAC name

1-(4-bromophenyl)-67-diethoxy-1234-tetrahydroisoquinoline

SMILES

CCOc1cc(CCNC2c(cc3)ccc3Br)c2cc1OCC

InChI

InChI=1S/C19H22BrNO2/c1-3-22-17-11-14-9-10-21-19(13-5-7-15(20)8-6-13)16(14)12-18(17)23-4-2/h5-8,11-12,19,21H,3-4,9-10H2,1-2H3/t19-/m0/s1

InChI Key

KOYWTXBINRJTAB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03034483

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

376.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

1.449

Water Solubility, LogSw

-3.17

Polar Surface Area

26.579

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

References: we are preparing a list of scientific research reports with 8012-6658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6658?
Check Price and Availability of 8012-6658, 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 8012-6658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6658
  • 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 8012-6658 available by request