S830-2704 Screening compound: 1-{2-[4,4-difluoro-3-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-4,6-dimethyl-1,2-dihydropyrimidin-2-one

S830-2704 Screening compound: 1-{2-[4,4-difluoro-3-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-4,6-dimethyl-1,2-dihydropyrimidin-2-one
S830-2704 Screening compound: 1-{2-[4,4-difluoro-3-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-4,6-dimethyl-1,2-dihydropyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-2704
1-{2-[4,4-difluoro-3-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-4,6-dimethyl-1,2-dihydropyrimidin-2-one

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

S830-2704

Molecular Formula

C15H21F2N3O3 (C15 H21 F2 N3 O3)

Compound Name

1-{2-[4,4-difluoro-3-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-4,6-dimethyl-1,2-dihydropyrimidin-2-one

IUPAC name

1-{2-[44-difluoro-3-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-46-dimethyl-12-dihydropyrimidin-2-one

SMILES

CC(C=C(C)N1CC(N(CC2)CC(COC)C2(F)F)=O)=NC1=O

InChI

InChI=1S/C15H21F2N3O3/c1-10-6-11(2)20(14(22)18-10)8-13(21)19-5-4-15(16,17)12(7-19)9-23-3/h6,12H,4-5,7-9H2,1-3H3/t12-/m1/s1

InChI Key

COQMRRUEOBDJQG-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD30468325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.074

Distribution Coefficient, logD

1.074

Water Solubility, LogSw

-1.07

Polar Surface Area

48.181

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S830-2704 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S830-2704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-2704?
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What is the minimum amount of S830-2704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-2704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-2704
  • 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 S830-2704 available by request