D490-0094 Screening compound: 4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-{[4-(pyrrolidin-1-yl)phenyl]amino}pyrimidine-5-carbonitrile

D490-0094 Screening compound: 4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-{[4-(pyrrolidin-1-yl)phenyl]amino}pyrimidine-5-carbonitrile
D490-0094 Screening compound: 4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-{[4-(pyrrolidin-1-yl)phenyl]amino}pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0094
4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-{[4-(pyrrolidin-1-yl)phenyl]amino}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

D490-0094

Molecular Formula

C26H29N5S (C26 H29 N5 S)

Compound Name

4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-{[4-(pyrrolidin-1-yl)phenyl]amino}pyrimidine-5-carbonitrile

IUPAC name

4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-{[4-(pyrrolidin-1-yl)phenyl]amino}pyrimidine-5-carbonitrile

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(SC)nc(Nc(cc2)ccc2N2CCCC2)c1C#N

InChI

InChI=1S/C26H29N5S/c1-26(2,3)19-9-7-18(8-10-19)23-22(17-27)24(30-25(29-23)32-4)28-20-11-13-21(14-12-20)31-15-5-6-16-31/h7-14H,5-6,15-16H2,1-4H3,(H,28,29,30)

InChI Key

AAMFQGCREVXTKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.285

Distribution Coefficient, logD

7.284

Water Solubility, LogSw

-5.93

Polar Surface Area

48.457

Acid Dissociation Constant (pKa)

16.18

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

D490-0094 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D490-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0094?
Check Price and Availability of D490-0094, 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 D490-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0094
  • 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 D490-0094 available by request