E983-1917 Screening compound: 3-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]urea

E983-1917 Screening compound: 3-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]urea
E983-1917 Screening compound: 3-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1917
3-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]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

E983-1917

Molecular Formula

C22H25N3O2S (C22 H25 N3 O2 S)

Compound Name

3-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]urea

IUPAC name

3-{[1-(2-methoxyphenyl)-25-dimethyl-1H-pyrrol-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]urea

SMILES

Cc1cc(CNC(Nc2cccc(SC)c2)=O)c(C)n1-c(cccc1)c1OC

InChI

InChI=1S/C22H25N3O2S/c1-15-12-17(16(2)25(15)20-10-5-6-11-21(20)27-3)14-23-22(26)24-18-8-7-9-19(13-18)28-4/h5-13H,14H2,1-4H3,(H2,23,24,26)

InChI Key

WKIRVYXMMASOCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

4.168

Water Solubility, LogSw

-4.28

Polar Surface Area

43.858

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E983-1917 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 E983-1917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1917?
Check Price and Availability of E983-1917, 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 E983-1917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1917
  • 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 E983-1917 available by request