K913-0578 Screening compound: N-(2-bromo-4-methylphenyl)-5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

K913-0578 Screening compound: N-(2-bromo-4-methylphenyl)-5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
K913-0578 Screening compound: N-(2-bromo-4-methylphenyl)-5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K913-0578
N-(2-bromo-4-methylphenyl)-5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

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

K913-0578

Molecular Formula

C24H21BrN4OS (C24 H21 BrN4 OS)

Compound Name

N-(2-bromo-4-methylphenyl)-5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(2-bromo-4-methylphenyl)-5-methyl-4-(1234-tetrahydroisoquinolin-2-yl)thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(ccc(C)c2)c2Br)=O)sc2c1c(N(CC1)Cc3c1cccc3)ncn2

InChI

InChI=1S/C24H21BrN4OS/c1-14-7-8-19(18(25)11-14)28-23(30)21-15(2)20-22(26-13-27-24(20)31-21)29-10-9-16-5-3-4-6-17(16)12-29/h3-8,11,13H,9-10,12H2,1-2H3,(H,28,30)

InChI Key

MZJCJAXSUBVOMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.208

Distribution Coefficient, logD

6.204

Water Solubility, LogSw

-5.80

Polar Surface Area

46.594

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

K913-0578 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K913-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K913-0578?
Check Price and Availability of K913-0578, 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 K913-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K913-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K913-0578
  • 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 K913-0578 available by request