G621-0084 Screening compound: N-tert-butyl-2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}acetamide

G621-0084 Screening compound: N-tert-butyl-2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}acetamide
G621-0084 Screening compound: N-tert-butyl-2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G621-0084
N-tert-butyl-2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}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

G621-0084

Molecular Formula

C18H25N3O2S (C18 H25 N3 O2 S)

Compound Name

N-tert-butyl-2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}acetamide

IUPAC name

N-tert-butyl-2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}acetamide

SMILES

CC(C)(C)NC(CSc1ncc(CO)n1Cc1ccc(C)cc1)=O

InChI

InChI=1S/C18H25N3O2S/c1-13-5-7-14(8-6-13)10-21-15(11-22)9-19-17(21)24-12-16(23)20-18(2,3)4/h5-9,22H,10-12H2,1-4H3,(H,20,23)

InChI Key

CFRDDIQJMVKXQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09023662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.866

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-2.99

Polar Surface Area

51.926

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G621-0084 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G621-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G621-0084?
Check Price and Availability of G621-0084, 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 G621-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G621-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G621-0084
  • 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 G621-0084 available by request