G621-0413 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}ethan-1-one

G621-0413 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}ethan-1-one
G621-0413 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G621-0413
1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}ethan-1-one

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

G621-0413

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}ethan-1-one

SMILES

COc1ccc(Cn2c(SCC(N(CC3)c4c3cccc4)=O)ncc2CO)cc1

InChI

InChI=1S/C22H23N3O3S/c1-28-19-8-6-16(7-9-19)13-25-18(14-26)12-23-22(25)29-15-21(27)24-11-10-17-4-2-3-5-20(17)24/h2-9,12,26H,10-11,13-15H2,1H3

InChI Key

QIQMCXYYUZRLQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09023873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

3.113

Water Solubility, LogSw

-3.16

Polar Surface Area

51.326

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G621-0413 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 G621-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G621-0413?
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What is the minimum amount of G621-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G621-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G621-0413
  • 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 G621-0413 available by request