8018-3183 Screening compound: ethyl 4-{2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate

8018-3183 Screening compound: ethyl 4-{2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
8018-3183 Screening compound: ethyl 4-{2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3183
ethyl 4-{2-[(5-butyl-4-methyl-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

8018-3183

Molecular Formula

C19H25N3O3S (C19 H25 N3 O3 S)

Compound Name

ethyl 4-{2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate

SMILES

CCCCc([nH]1)c(C)nc1SCC(Nc(cc1)ccc1C(OCC)=O)=O

InChI

InChI=1S/C19H25N3O3S/c1-4-6-7-16-13(3)20-19(22-16)26-12-17(23)21-15-10-8-14(9-11-15)18(24)25-5-2/h8-11H,4-7,12H2,1-3H3,(H,20,22)(H,21,23)

InChI Key

ZTIIZNQVAGJFNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-3.91

Polar Surface Area

64.024

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

8018-3183 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8018-3183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3183?
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What is the minimum amount of 8018-3183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3183
  • 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 8018-3183 available by request