C794-1025 Screening compound: ethyl 2-{4-[({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamoyl)amino]phenyl}acetate

C794-1025 Screening compound: ethyl 2-{4-[({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamoyl)amino]phenyl}acetate
C794-1025 Screening compound: ethyl 2-{4-[({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamoyl)amino]phenyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1025
ethyl 2-{4-[({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamoyl)amino]phenyl}acetate

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

C794-1025

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

ethyl 2-{4-[({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamoyl)amino]phenyl}acetate

IUPAC name

ethyl 2-{4-[({1-[45-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamoyl)amino]phenyl}acetate

SMILES

CCOC(Cc(cc1)ccc1NC(NC(C)c1c(-n2cccc2)sc(C)c1C)=O)=O

InChI

InChI=1S/C23H27N3O3S/c1-5-29-20(27)14-18-8-10-19(11-9-18)25-23(28)24-16(3)21-15(2)17(4)30-22(21)26-12-6-7-13-26/h6-13,16H,5,14H2,1-4H3,(H2,24,25,28)/t16-/m0/s1

InChI Key

ZTKFKARSFYXHTE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14796314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.839

Distribution Coefficient, logD

4.839

Water Solubility, LogSw

-4.42

Polar Surface Area

58.240

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

C794-1025 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 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:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C794-1025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1025?
Check Price and Availability of C794-1025, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C794-1025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1025
  • 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 C794-1025 available by request