F984-0922 Screening compound: ethyl 2-[2-({1-[4-(butylcarbamoyl)phenyl]-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate

F984-0922 Screening compound: ethyl 2-[2-({1-[4-(butylcarbamoyl)phenyl]-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate
F984-0922 Screening compound: ethyl 2-[2-({1-[4-(butylcarbamoyl)phenyl]-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F984-0922
ethyl 2-[2-({1-[4-(butylcarbamoyl)phenyl]-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate

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

F984-0922

Molecular Formula

C25H28N4O4S (C25 H28 N4 O4 S)

Compound Name

ethyl 2-[2-({1-[4-(butylcarbamoyl)phenyl]-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate

IUPAC name

ethyl 2-[2-({1-[4-(butylcarbamoyl)phenyl]-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate

SMILES

CCCCNC(c(cc1)ccc1-n1c(SCC(Nc(cccc2)c2C(OCC)=O)=O)ncc1)=O

InChI

InChI=1S/C25H28N4O4S/c1-3-5-14-26-23(31)18-10-12-19(13-11-18)29-16-15-27-25(29)34-17-22(30)28-21-9-7-6-8-20(21)24(32)33-4-2/h6-13,15-16H,3-5,14,17H2,1-2H3,(H,26,31)(H,28,30)

InChI Key

QIIGTOOKJMQDAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16639130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.982

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.09

Polar Surface Area

80.249

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F984-0922 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F984-0922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F984-0922?
Check Price and Availability of F984-0922, 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 F984-0922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F984-0922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F984-0922
  • 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 F984-0922 available by request