D264-0717 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea

D264-0717 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea
D264-0717 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D264-0717
1-(5-chloro-2,4-dimethoxyphenyl)-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

D264-0717

Molecular Formula

C22H28ClN3O3 (C22 H28 ClN3 O3)

Compound Name

1-(5-chloro-2,4-dimethoxyphenyl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea

IUPAC name

1-(5-chloro-24-dimethoxyphenyl)-3-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)urea

SMILES

Cc1ccc(CN2CC(CNC(Nc(c(OC)c3)cc(Cl)c3OC)=O)CC2)cc1

InChI

InChI=1S/C22H28ClN3O3/c1-15-4-6-16(7-5-15)13-26-9-8-17(14-26)12-24-22(27)25-19-10-18(23)20(28-2)11-21(19)29-3/h4-7,10-11,17H,8-9,12-14H2,1-3H3,(H2,24,25,27)/t17-/m1/s1

InChI Key

FMUNXLUQSCLFIJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14815975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.859

Distribution Coefficient, logD

0.292

Water Solubility, LogSw

-4.22

Polar Surface Area

52.459

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

11.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D264-0717 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D264-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D264-0717?
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What is the minimum amount of D264-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D264-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D264-0717
  • 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 D264-0717 available by request