S066-0163 Screening compound: N-(6-{[1-(cyclopropylsulfonyl)tetrahydro-1H-pyrrol-3-yl]oxy}-4-pyrimidinyl)-N,N-dimethylamine

S066-0163 Screening compound: N-(6-{[1-(cyclopropylsulfonyl)tetrahydro-1H-pyrrol-3-yl]oxy}-4-pyrimidinyl)-N,N-dimethylamine
S066-0163 Screening compound: N-(6-{[1-(cyclopropylsulfonyl)tetrahydro-1H-pyrrol-3-yl]oxy}-4-pyrimidinyl)-N,N-dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound S066-0163
N-(6-{[1-(cyclopropylsulfonyl)tetrahydro-1H-pyrrol-3-yl]oxy}-4-pyrimidinyl)-N,N-dimethylamine

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

S066-0163

Molecular Formula

C13H20N4O3S (C13 H20 N4 O3 S)

Compound Name

N-(6-{[1-(cyclopropylsulfonyl)tetrahydro-1H-pyrrol-3-yl]oxy}-4-pyrimidinyl)-N,N-dimethylamine

IUPAC name

n/a

SMILES

CN(C)c1cc(OC(CC2)CN2S(C2CC2)(=O)=O)ncn1

InChI

InChI=1S/C13H20N4O3S/c1-16(2)12-7-13(15-9-14-12)20-10-5-6-17(8-10)21(18,19)11-3-4-11/h7,9-11H,3-6,8H2,1-2H3/t10-/m1/s1

InChI Key

HIUHIBGXBPBBQU-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.309

Distribution Coefficient, logD

1.309

Water Solubility, LogSw

-1.94

Polar Surface Area

61.012

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.23

S066-0163 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S066-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S066-0163?
Check Price and Availability of S066-0163, 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 S066-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S066-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S066-0163
  • 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 S066-0163 available by request