K913-0096 Screening compound: 1,4-dioxa-8-azaspiro[4.5]dec-8-yl{4-[4-(2-methoxyphenyl)piperazino]-5-methylthieno[2,3-d]pyrimidin-6-yl}methanone

K913-0096 Screening compound: 1,4-dioxa-8-azaspiro[4.5]dec-8-yl{4-[4-(2-methoxyphenyl)piperazino]-5-methylthieno[2,3-d]pyrimidin-6-yl}methanone
K913-0096 Screening compound: 1,4-dioxa-8-azaspiro[4.5]dec-8-yl{4-[4-(2-methoxyphenyl)piperazino]-5-methylthieno[2,3-d]pyrimidin-6-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K913-0096
1,4-dioxa-8-azaspiro[4.5]dec-8-yl{4-[4-(2-methoxyphenyl)piperazino]-5-methylthieno[2,3-d]pyrimidin-6-yl}methanone

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

K913-0096

Molecular Formula

C26H31N5O4S (C26 H31 N5 O4 S)

Compound Name

1,4-dioxa-8-azaspiro[4.5]dec-8-yl{4-[4-(2-methoxyphenyl)piperazino]-5-methylthieno[2,3-d]pyrimidin-6-yl}methanone

IUPAC name

8-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[23-d]pyrimidine-6-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

Cc1c(C(N(CC2)CCC22OCCO2)=O)sc2ncnc(N(CC3)CCN3c(cccc3)c3OC)c12

InChI

InChI=1S/C26H31N5O4S/c1-18-21-23(30-13-11-29(12-14-30)19-5-3-4-6-20(19)33-2)27-17-28-24(21)36-22(18)25(32)31-9-7-26(8-10-31)34-15-16-35-26/h3-6,17H,7-16H2,1-2H3

InChI Key

AWVDHWOPDHERTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.655

Distribution Coefficient, logD

3.541

Water Solubility, LogSw

-4.05

Polar Surface Area

66.213

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K913-0096 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 K913-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K913-0096?
Check Price and Availability of K913-0096, 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 K913-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K913-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K913-0096
  • 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 K913-0096 available by request