G621-0375 Screening compound: 2-({1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

G621-0375 Screening compound: 2-({1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
G621-0375 Screening compound: 2-({1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G621-0375
2-({1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

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

G621-0375

Molecular Formula

C20H17F4N3O3S (C20 H17 F4 N3 O3 S)

Compound Name

2-({1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-({1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

OCc(n1Cc(cc2)ccc2F)cnc1SCC(Nc(cc1)ccc1OC(F)(F)F)=O

InChI

InChI=1S/C20H17F4N3O3S/c21-14-3-1-13(2-4-14)10-27-16(11-28)9-25-19(27)31-12-18(29)26-15-5-7-17(8-6-15)30-20(22,23)24/h1-9,28H,10-12H2,(H,26,29)

InChI Key

YCZWJLBAGAXERP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09023854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.15

Polar Surface Area

57.445

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G621-0375 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G621-0375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G621-0375?
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What is the minimum amount of G621-0375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G621-0375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G621-0375
  • 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 G621-0375 available by request