C794-1021 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}urea

C794-1021 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}urea
C794-1021 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1021
1-(5-chloro-2,4-dimethoxyphenyl)-3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}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

C794-1021

Molecular Formula

C21H24ClN3O3S (C21 H24 ClN3 O3 S)

Compound Name

1-(5-chloro-2,4-dimethoxyphenyl)-3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}urea

IUPAC name

1-(5-chloro-24-dimethoxyphenyl)-3-{1-[45-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}urea

SMILES

CC(c1c(-n2cccc2)sc(C)c1C)NC(Nc(c(OC)c1)cc(Cl)c1OC)=O

InChI

InChI=1S/C21H24ClN3O3S/c1-12-14(3)29-20(25-8-6-7-9-25)19(12)13(2)23-21(26)24-16-10-15(22)17(27-4)11-18(16)28-5/h6-11,13H,1-5H3,(H2,23,24,26)/t13-/m0/s1

InChI Key

NDTFGOZUYNATQS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14796310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.083

Distribution Coefficient, logD

5.083

Water Solubility, LogSw

-5.50

Polar Surface Area

52.644

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C794-1021 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C794-1021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1021?
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What is the minimum amount of C794-1021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1021
  • 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 C794-1021 available by request