D490-0162 Screening compound: 4-(3-methoxy-4-propoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

D490-0162 Screening compound: 4-(3-methoxy-4-propoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
D490-0162 Screening compound: 4-(3-methoxy-4-propoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0162
4-(3-methoxy-4-propoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

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

D490-0162

Molecular Formula

C21H27N5O2S (C21 H27 N5 O2 S)

Compound Name

4-(3-methoxy-4-propoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

IUPAC name

4-(3-methoxy-4-propoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

SMILES

CCCOc(ccc(-c1nc(SC)nc(N2CCN(C)CC2)c1C#N)c1)c1OC

InChI

InChI=1S/C21H27N5O2S/c1-5-12-28-17-7-6-15(13-18(17)27-3)19-16(14-22)20(24-21(23-19)29-4)26-10-8-25(2)9-11-26/h6-7,13H,5,8-12H2,1-4H3

InChI Key

OIBHQODDBBWDKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.30

Polar Surface Area

57.084

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

D490-0162 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D490-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0162?
Check Price and Availability of D490-0162, 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 D490-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0162
  • 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 D490-0162 available by request