S830-0286 Screening compound: 5-{3-[(cyclopropylmethoxy)methyl]-4,4-difluoropiperidine-1-carbonyl}pyrimidine

S830-0286 Screening compound: 5-{3-[(cyclopropylmethoxy)methyl]-4,4-difluoropiperidine-1-carbonyl}pyrimidine
S830-0286 Screening compound: 5-{3-[(cyclopropylmethoxy)methyl]-4,4-difluoropiperidine-1-carbonyl}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-0286
5-{3-[(cyclopropylmethoxy)methyl]-4,4-difluoropiperidine-1-carbonyl}pyrimidine

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

S830-0286

Molecular Formula

C15H19F2N3O2 (C15 H19 F2 N3 O2)

Compound Name

5-{3-[(cyclopropylmethoxy)methyl]-4,4-difluoropiperidine-1-carbonyl}pyrimidine

IUPAC name

5-{3-[(cyclopropylmethoxy)methyl]-44-difluoropiperidine-1-carbonyl}pyrimidine

SMILES

O=C(c1cncnc1)N(CC1)CC(COCC2CC2)C1(F)F

InChI

InChI=1S/C15H19F2N3O2/c16-15(17)3-4-20(14(21)12-5-18-10-19-6-12)7-13(15)9-22-8-11-1-2-11/h5-6,10-11,13H,1-4,7-9H2/t13-/m1/s1

InChI Key

BVUBEILXITZGGJ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD30468239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.873

Distribution Coefficient, logD

0.873

Water Solubility, LogSw

-0.75

Polar Surface Area

46.256

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S830-0286 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S830-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-0286?
Check Price and Availability of S830-0286, 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 S830-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-0286
  • 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 S830-0286 available by request