D490-0459 Screening compound: ethyl 4-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate

D490-0459 Screening compound: ethyl 4-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate
D490-0459 Screening compound: ethyl 4-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0459
ethyl 4-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate

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

D490-0459

Molecular Formula

C19H21N5O2S (C19 H21 N5 O2 S)

Compound Name

ethyl 4-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1c(nc(nc1-c2ccccc2)SC)c1C#N)=O

InChI

InChI=1S/C19H21N5O2S/c1-3-26-19(25)24-11-9-23(10-12-24)17-15(13-20)16(21-18(22-17)27-2)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3

InChI Key

XKMHBLSGAWULKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.870

Distribution Coefficient, logD

3.870

Water Solubility, LogSw

-4.05

Polar Surface Area

61.252

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D490-0459 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D490-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0459?
Check Price and Availability of D490-0459, 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 D490-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0459
  • 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 D490-0459 available by request