C794-1024 Screening compound: 3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}-1-(2,3-dimethylphenyl)urea

C794-1024 Screening compound: 3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}-1-(2,3-dimethylphenyl)urea
C794-1024 Screening compound: 3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}-1-(2,3-dimethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1024
3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}-1-(2,3-dimethylphenyl)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

C794-1024

Molecular Formula

C21H25N3OS (C21 H25 N3 OS)

Compound Name

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

IUPAC name

3-{1-[45-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}-1-(23-dimethylphenyl)urea

SMILES

CC(c1c(-n2cccc2)sc(C)c1C)NC(Nc1c(C)c(C)ccc1)=O

InChI

InChI=1S/C21H25N3OS/c1-13-9-8-10-18(14(13)2)23-21(25)22-16(4)19-15(3)17(5)26-20(19)24-11-6-7-12-24/h6-12,16H,1-5H3,(H2,22,23,25)/t16-/m0/s1

InChI Key

LCJACWKWUQNQSF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14796313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.415

Distribution Coefficient, logD

5.415

Water Solubility, LogSw

-5.41

Polar Surface Area

37.384

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C794-1024 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C794-1024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1024?
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What is the minimum amount of C794-1024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1024
  • 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 C794-1024 available by request