K895-0326 Screening compound: 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N,5-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine

K895-0326 Screening compound: 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N,5-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
K895-0326 Screening compound: 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N,5-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K895-0326
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N,5-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine

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

K895-0326

Molecular Formula

C27H27N5O3S (C27 H27 N5 O3 S)

Compound Name

6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N,5-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine

IUPAC name

6-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N5-dimethyl-N-phenylthieno[23-d]pyrimidin-4-amine

SMILES

Cc1c(C(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)sc2ncnc(N(C)c3ccccc3)c12

InChI

InChI=1S/C27H27N5O3S/c1-18-23-25(30(2)20-6-4-3-5-7-20)28-16-29-26(23)36-24(18)27(33)32-12-10-31(11-13-32)15-19-8-9-21-22(14-19)35-17-34-21/h3-9,14,16H,10-13,15,17H2,1-2H3

InChI Key

WGZDWNFLHXQVOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.163

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-4.38

Polar Surface Area

60.563

Acid Dissociation Constant (pKa)

24.15

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

K895-0326 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K895-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K895-0326?
Check Price and Availability of K895-0326, 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 K895-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K895-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K895-0326
  • 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 K895-0326 available by request