C794-1028 Screening compound: 1-(3-chloro-2-methylphenyl)-3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}urea

C794-1028 Screening compound: 1-(3-chloro-2-methylphenyl)-3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}urea
C794-1028 Screening compound: 1-(3-chloro-2-methylphenyl)-3-{1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1028
1-(3-chloro-2-methylphenyl)-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

C794-1028

Molecular Formula

C20H22ClN3OS (C20 H22 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(c1c(-n2cccc2)sc(C)c1C)NC(Nc1cccc(Cl)c1C)=O

InChI

InChI=1S/C20H22ClN3OS/c1-12-15(4)26-19(24-10-5-6-11-24)18(12)14(3)22-20(25)23-17-9-7-8-16(21)13(17)2/h5-11,14H,1-4H3,(H2,22,23,25)/t14-/m0/s1

InChI Key

JRXZOBMYVPCTHZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14796317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.93

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

5.592

Distribution Coefficient, logD

5.592

Water Solubility, LogSw

-5.91

Polar Surface Area

37.384

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C794-1028 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 C794-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1028?
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What is the minimum amount of C794-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1028
  • 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 C794-1028 available by request