D264-0722 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea

D264-0722 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea
D264-0722 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D264-0722
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

D264-0722

Molecular Formula

C22H27N3O3 (C22 H27 N3 O3)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea

SMILES

Cc1ccc(CN2CC(CNC(Nc(cc3)cc4c3OCCO4)=O)CC2)cc1

InChI

InChI=1S/C22H27N3O3/c1-16-2-4-17(5-3-16)14-25-9-8-18(15-25)13-23-22(26)24-19-6-7-20-21(12-19)28-11-10-27-20/h2-7,12,18H,8-11,13-15H2,1H3,(H2,23,24,26)/t18-/m1/s1

InChI Key

UBJBUYOWEFBPJV-GOSISDBHSA-N

MDL Number (MFCD)

MFCD09874208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.531

Distribution Coefficient, logD

-1.035

Water Solubility, LogSw

-2.92

Polar Surface Area

53.719

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

10.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D264-0722 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D264-0722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D264-0722?
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What is the minimum amount of D264-0722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D264-0722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D264-0722
  • 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 D264-0722 available by request