G621-0308 Screening compound: ethyl 4-[2-({1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate

G621-0308 Screening compound: ethyl 4-[2-({1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate
G621-0308 Screening compound: ethyl 4-[2-({1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G621-0308
ethyl 4-[2-({1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-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

G621-0308

Molecular Formula

C22H22FN3O4S (C22 H22 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CSc1ncc(CO)n1Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C22H22FN3O4S/c1-2-30-21(29)16-5-9-18(10-6-16)25-20(28)14-31-22-24-11-19(13-27)26(22)12-15-3-7-17(23)8-4-15/h3-11,27H,2,12-14H2,1H3,(H,25,28)

InChI Key

RLFIXQHOWYILAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09023814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.663

Distribution Coefficient, logD

3.662

Water Solubility, LogSw

-3.67

Polar Surface Area

72.262

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G621-0308 in Drug Discovery

Included in Screening Libraries

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 G621-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G621-0308?
Check Price and Availability of G621-0308, 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 G621-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G621-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G621-0308
  • 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 G621-0308 available by request