D274-0111 Screening compound: 1-(4-bromophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea

D274-0111 Screening compound: 1-(4-bromophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea
D274-0111 Screening compound: 1-(4-bromophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D274-0111
1-(4-bromophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]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

D274-0111

Molecular Formula

C18H22BrN5O (C18 H22 BrN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N(CC2)CCC2NC(Nc(cc2)ccc2Br)=O)nc(C)c1

InChI

InChI=1S/C18H22BrN5O/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

FMOQLLICWXGAAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.31

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

3.766

Distribution Coefficient, logD

3.765

Water Solubility, LogSw

-3.81

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

D274-0111 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Purinergic Library (3321 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D274-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D274-0111?
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What is the minimum amount of D274-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D274-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D274-0111
  • 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 D274-0111 available by request