S066-0190 Screening compound: (5-methyl-2-thienyl)(3-{[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)methanone

S066-0190 Screening compound: (5-methyl-2-thienyl)(3-{[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)methanone
S066-0190 Screening compound: (5-methyl-2-thienyl)(3-{[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S066-0190
(5-methyl-2-thienyl)(3-{[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)methanone

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

S066-0190

Molecular Formula

C18H22N4O2S (C18 H22 N4 O2 S)

Compound Name

(5-methyl-2-thienyl)(3-{[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)methanone

IUPAC name

n/a

SMILES

Cc1ccc(C(N(CC2)CC2Oc2ncnc(N3CCCC3)c2)=O)s1

InChI

InChI=1S/C18H22N4O2S/c1-13-4-5-15(25-13)18(23)22-9-6-14(11-22)24-17-10-16(19-12-20-17)21-7-2-3-8-21/h4-5,10,12,14H,2-3,6-9,11H2,1H3/t14-/m1/s1

InChI Key

ZJHFKCDRGOGQMB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27617560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-3.63

Polar Surface Area

47.458

Acid Dissociation Constant (pKa)

21.94

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S066-0190 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S066-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S066-0190?
Check Price and Availability of S066-0190, 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 S066-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S066-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S066-0190
  • 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 S066-0190 available by request