K892-0457 Screening compound: N,N-diethyl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-amine

K892-0457 Screening compound: N,N-diethyl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
K892-0457 Screening compound: N,N-diethyl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0457
N,N-diethyl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methylthieno[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

K892-0457

Molecular Formula

C23H29N5O2S (C23 H29 N5 O2 S)

Compound Name

N,N-diethyl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-amine

IUPAC name

NN-diethyl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methylthieno[23-d]pyrimidin-4-amine

SMILES

CCN(CC)c1c(c(C)c(C(N(CC2)CCN2c(cc2)ccc2OC)=O)s2)c2ncn1

InChI

InChI=1S/C23H29N5O2S/c1-5-26(6-2)21-19-16(3)20(31-22(19)25-15-24-21)23(29)28-13-11-27(12-14-28)17-7-9-18(30-4)10-8-17/h7-10,15H,5-6,11-14H2,1-4H3

InChI Key

TWGDLJAVYBMCOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.242

Water Solubility, LogSw

-4.42

Polar Surface Area

51.275

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

K892-0457 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K892-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0457?
Check Price and Availability of K892-0457, 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 K892-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0457
  • 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 K892-0457 available by request