K913-0585 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

K913-0585 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
K913-0585 Screening compound: N-(3-chloro-4-methoxyphenyl)-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 K913-0585
N-(3-chloro-4-methoxyphenyl)-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

K913-0585

Molecular Formula

C24H21ClN4O2S (C24 H21 ClN4 O2 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-methoxyphenyl)-5-methyl-4-(1234-tetrahydroisoquinolin-2-yl)thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(cc2)cc(Cl)c2OC)=O)sc2c1c(N(CC1)Cc3c1cccc3)ncn2

InChI

InChI=1S/C24H21ClN4O2S/c1-14-20-22(29-10-9-15-5-3-4-6-16(15)12-29)26-13-27-24(20)32-21(14)23(30)28-17-7-8-19(31-2)18(25)11-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,28,30)

InChI Key

NIURPWOWAGAPNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.739

Distribution Coefficient, logD

5.702

Water Solubility, LogSw

-5.98

Polar Surface Area

54.922

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

K913-0585 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K913-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K913-0585?
Check Price and Availability of K913-0585, 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 K913-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K913-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K913-0585
  • 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 K913-0585 available by request