D339-0471 Screening compound: 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-3-[(thiophen-2-yl)methyl]urea

D339-0471 Screening compound: 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-3-[(thiophen-2-yl)methyl]urea
D339-0471 Screening compound: 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-3-[(thiophen-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0471
1-(3-chlorophenyl)-3-(4-methoxyphenyl)-3-[(thiophen-2-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

D339-0471

Molecular Formula

C19H17ClN2O2S (C19 H17 ClN2 O2 S)

Compound Name

1-(3-chlorophenyl)-3-(4-methoxyphenyl)-3-[(thiophen-2-yl)methyl]urea

IUPAC name

1-(3-chlorophenyl)-3-(4-methoxyphenyl)-3-[(thiophen-2-yl)methyl]urea

SMILES

COc(cc1)ccc1N(Cc1cccs1)C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C19H17ClN2O2S/c1-24-17-9-7-16(8-10-17)22(13-18-6-3-11-25-18)19(23)21-15-5-2-4-14(20)12-15/h2-12H,13H2,1H3,(H,21,23)

InChI Key

VFXOAYHDVYWSSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12914788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.481

Distribution Coefficient, logD

5.481

Water Solubility, LogSw

-5.84

Polar Surface Area

32.972

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D339-0471 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 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

References: we are preparing a list of scientific research reports with D339-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0471?
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What is the minimum amount of D339-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0471
  • 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 D339-0471 available by request