G621-0532 Screening compound: {1-[(4-chlorophenyl)methyl]-2-{[2-(1,3-dioxolan-2-yl)ethyl]sulfanyl}-1H-imidazol-5-yl}methanol

G621-0532 Screening compound: {1-[(4-chlorophenyl)methyl]-2-{[2-(1,3-dioxolan-2-yl)ethyl]sulfanyl}-1H-imidazol-5-yl}methanol
G621-0532 Screening compound: {1-[(4-chlorophenyl)methyl]-2-{[2-(1,3-dioxolan-2-yl)ethyl]sulfanyl}-1H-imidazol-5-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound G621-0532
{1-[(4-chlorophenyl)methyl]-2-{[2-(1,3-dioxolan-2-yl)ethyl]sulfanyl}-1H-imidazol-5-yl}methanol

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

G621-0532

Molecular Formula

C16H19ClN2O3S (C16 H19 ClN2 O3 S)

Compound Name

{1-[(4-chlorophenyl)methyl]-2-{[2-(1,3-dioxolan-2-yl)ethyl]sulfanyl}-1H-imidazol-5-yl}methanol

IUPAC name

{1-[(4-chlorophenyl)methyl]-2-{[2-(13-dioxolan-2-yl)ethyl]sulfanyl}-1H-imidazol-5-yl}methanol

SMILES

OCc(n1Cc(cc2)ccc2Cl)cnc1SCCC1OCCO1

InChI

InChI=1S/C16H19ClN2O3S/c17-13-3-1-12(2-4-13)10-19-14(11-20)9-18-16(19)23-8-5-15-21-6-7-22-15/h1-4,9,15,20H,5-8,10-11H2

InChI Key

ALDLYOBNJXJURB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09023961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.358

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-2.49

Polar Surface Area

45.897

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

G621-0532 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G621-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G621-0532?
Check Price and Availability of G621-0532, 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 G621-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G621-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G621-0532
  • 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 G621-0532 available by request