C614-7076 Screening compound: tert-butyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

C614-7076 Screening compound: tert-butyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
C614-7076 Screening compound: tert-butyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-7076
tert-butyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

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

C614-7076

Molecular Formula

C14H18BrNO2 (C14 H18 BrNO2)

Compound Name

tert-butyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

IUPAC name

tert-butyl 5-bromo-1234-tetrahydroisoquinoline-2-carboxylate

SMILES

CC(C)(C)OC(N1Cc2cccc(Br)c2CC1)=O

InChI

InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-8-7-11-10(9-16)5-4-6-12(11)15/h4-6H,7-9H2,1-3H3

InChI Key

YSAAGRAKROVFRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08752227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.376

Distribution Coefficient, logD

4.376

Water Solubility, LogSw

-4.35

Polar Surface Area

21.982

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C614-7076 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C614-7076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-7076?
Check Price and Availability of C614-7076, 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 C614-7076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-7076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-7076
  • 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 C614-7076 available by request