D264-0812 Screening compound: 1-(3-chloro-2-methylphenyl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea

D264-0812 Screening compound: 1-(3-chloro-2-methylphenyl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea
D264-0812 Screening compound: 1-(3-chloro-2-methylphenyl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D264-0812
1-(3-chloro-2-methylphenyl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)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

D264-0812

Molecular Formula

C21H26ClN3O (C21 H26 ClN3 O)

Compound Name

1-(3-chloro-2-methylphenyl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea

IUPAC name

1-(3-chloro-2-methylphenyl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea

SMILES

Cc1ccc(CN2CC(CNC(Nc3cccc(Cl)c3C)=O)CC2)cc1

InChI

InChI=1S/C21H26ClN3O/c1-15-6-8-17(9-7-15)13-25-11-10-18(14-25)12-23-21(26)24-20-5-3-4-19(22)16(20)2/h3-9,18H,10-14H2,1-2H3,(H2,23,24,26)/t18-/m1/s1

InChI Key

FNZNPRYSSUBBQJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14816035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

0.800

Water Solubility, LogSw

-4.28

Polar Surface Area

37.198

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

10.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D264-0812 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D264-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D264-0812?
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What is the minimum amount of D264-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D264-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D264-0812
  • 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 D264-0812 available by request