K913-0264 Screening compound: N~6~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide

K913-0264 Screening compound: N~6~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide
K913-0264 Screening compound: N~6~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K913-0264
N~6~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-(4-phenylpiperazino)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

K913-0264

Molecular Formula

C26H25N5O3S (C26 H25 N5 O3 S)

Compound Name

N~6~-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(cc2)cc3c2OCCO3)=O)sc2ncnc(N(CC3)CCN3c3ccccc3)c12

InChI

InChI=1S/C26H25N5O3S/c1-17-22-24(31-11-9-30(10-12-31)19-5-3-2-4-6-19)27-16-28-26(22)35-23(17)25(32)29-18-7-8-20-21(15-18)34-14-13-33-20/h2-8,15-16H,9-14H2,1H3,(H,29,32)

InChI Key

COBDXLSZYLGAEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.38

Polar Surface Area

66.713

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

K913-0264 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K913-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K913-0264?
Check Price and Availability of K913-0264, 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 K913-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K913-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K913-0264
  • 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 K913-0264 available by request