D288-0035 Screening compound: 2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate

D288-0035 Screening compound: 2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate
D288-0035 Screening compound: 2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D288-0035
2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate

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

D288-0035

Molecular Formula

C22H28N4O2S (C22 H28 N4 O2 S)

Compound Name

2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate

IUPAC name

2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate

SMILES

CC(C)C(OCCNc(nc(nc1-c2ccc(C(C)(C)C)cc2)SC)c1C#N)=O

InChI

InChI=1S/C22H28N4O2S/c1-14(2)20(27)28-12-11-24-19-17(13-23)18(25-21(26-19)29-6)15-7-9-16(10-8-15)22(3,4)5/h7-10,14H,11-12H2,1-6H3,(H,24,25,26)

InChI Key

JJTBRSFCJXNBCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.128

Distribution Coefficient, logD

6.128

Water Solubility, LogSw

-5.57

Polar Surface Area

67.122

Acid Dissociation Constant (pKa)

16.80

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

D288-0035 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D288-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D288-0035?
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What is the minimum amount of D288-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D288-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D288-0035
  • 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 D288-0035 available by request