S830-0840 Screening compound: 3-[(cyclopropylmethoxy)methyl]-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4,4-difluoropiperidine

S830-0840 Screening compound: 3-[(cyclopropylmethoxy)methyl]-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4,4-difluoropiperidine
S830-0840 Screening compound: 3-[(cyclopropylmethoxy)methyl]-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4,4-difluoropiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-0840
3-[(cyclopropylmethoxy)methyl]-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4,4-difluoropiperidine

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

S830-0840

Molecular Formula

C16H23F2N3O2 (C16 H23 F2 N3 O2)

Compound Name

3-[(cyclopropylmethoxy)methyl]-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4,4-difluoropiperidine

IUPAC name

3-[(cyclopropylmethoxy)methyl]-1-(13-dimethyl-1H-pyrazole-5-carbonyl)-44-difluoropiperidine

SMILES

Cc1nn(C)c(C(N(CC2)CC(COCC3CC3)C2(F)F)=O)c1

InChI

InChI=1S/C16H23F2N3O2/c1-11-7-14(20(2)19-11)15(22)21-6-5-16(17,18)13(8-21)10-23-9-12-3-4-12/h7,12-13H,3-6,8-10H2,1-2H3/t13-/m1/s1

InChI Key

GAJFSFPTBJWRCA-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD30468261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.655

Distribution Coefficient, logD

1.655

Water Solubility, LogSw

-1.63

Polar Surface Area

38.828

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S830-0840 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S830-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-0840?
Check Price and Availability of S830-0840, 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 S830-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-0840
  • 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 S830-0840 available by request