S066-0404 Screening compound: 4-[6-(tetrahydro-1H-pyrrol-3-yloxy)-4-pyrimidinyl]morpholine

S066-0404 Screening compound: 4-[6-(tetrahydro-1H-pyrrol-3-yloxy)-4-pyrimidinyl]morpholine
S066-0404 Screening compound: 4-[6-(tetrahydro-1H-pyrrol-3-yloxy)-4-pyrimidinyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S066-0404
4-[6-(tetrahydro-1H-pyrrol-3-yloxy)-4-pyrimidinyl]morpholine

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

S066-0404

Molecular Formula

C12H18N4O2 (C12 H18 N4 O2)

Compound Name

4-[6-(tetrahydro-1H-pyrrol-3-yloxy)-4-pyrimidinyl]morpholine

IUPAC name

4-[6-(pyrrolidin-3-yloxy)pyrimidin-4-yl]morpholine

SMILES

C(CNC1)C1Oc1cc(N2CCOCC2)ncn1

InChI

InChI=1S/C12H18N4O2/c1-2-13-8-10(1)18-12-7-11(14-9-15-12)16-3-5-17-6-4-16/h7,9-10,13H,1-6,8H2/t10-/m0/s1

InChI Key

FXYZTABGRBIIHK-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

250.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.638

Distribution Coefficient, logD

-1.588

Water Solubility, LogSw

-1.68

Polar Surface Area

49.485

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S066-0404 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S066-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S066-0404?
Check Price and Availability of S066-0404, 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 S066-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S066-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S066-0404
  • 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 S066-0404 available by request