4905-1774 Screening compound: 6-bromo-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one

4905-1774 Screening compound: 6-bromo-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one
4905-1774 Screening compound: 6-bromo-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4905-1774
6-bromo-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one

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

4905-1774

Molecular Formula

C19H14BrNO3 (C19 H14 BrNO3)

Compound Name

6-bromo-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one

IUPAC name

6-bromo-3-(1234-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one

SMILES

O=C(C1=Cc(cc(cc2)Br)c2OC1=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C19H14BrNO3/c20-15-5-6-17-14(9-15)10-16(19(23)24-17)18(22)21-8-7-12-3-1-2-4-13(12)11-21/h1-6,9-10H,7-8,11H2

InChI Key

ORBZGKLIZHBSPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03039638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.697

Distribution Coefficient, logD

3.697

Water Solubility, LogSw

-4.17

Polar Surface Area

37.470

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4905-1774 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 4905-1774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4905-1774?
Check Price and Availability of 4905-1774, 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 4905-1774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4905-1774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4905-1774
  • 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 4905-1774 available by request