D274-0039 Screening compound: 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(4-fluorophenyl)urea

D274-0039 Screening compound: 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(4-fluorophenyl)urea
D274-0039 Screening compound: 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(4-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D274-0039
3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(4-fluorophenyl)urea

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

D274-0039

Molecular Formula

C18H22FN5O (C18 H22 FN5 O)

Compound Name

3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(4-fluorophenyl)urea

IUPAC name

3-[1-(46-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(4-fluorophenyl)urea

SMILES

Cc1nc(N(CC2)CCC2NC(Nc(cc2)ccc2F)=O)nc(C)c1

InChI

InChI=1S/C18H22FN5O/c1-12-11-13(2)21-17(20-12)24-9-7-16(8-10-24)23-18(25)22-15-5-3-14(19)4-6-15/h3-6,11,16H,7-10H2,1-2H3,(H2,22,23,25)

InChI Key

KIQCDYNEOYPZTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.960

Water Solubility, LogSw

-3.35

Polar Surface Area

53.960

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D274-0039 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Purinergic Library (3321 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D274-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D274-0039?
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What is the minimum amount of D274-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D274-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D274-0039
  • 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 D274-0039 available by request