D621-0004 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

D621-0004 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
D621-0004 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D621-0004
2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(morpholin-4-yl)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

D621-0004

Molecular Formula

C21H21N3O4S2 (C21 H21 N3 O4 S2)

Compound Name

2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

SMILES

O=C(CSc([nH]c(-c1ccccc1)n1)c1S(c1ccccc1)(=O)=O)N1CCOCC1

InChI

InChI=1S/C21H21N3O4S2/c25-18(24-11-13-28-14-12-24)15-29-20-21(30(26,27)17-9-5-2-6-10-17)23-19(22-20)16-7-3-1-4-8-16/h1-10H,11-15H2,(H,22,23)

InChI Key

DXNHRBHFBHLIBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09988180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.913

Distribution Coefficient, logD

2.885

Water Solubility, LogSw

-3.35

Polar Surface Area

73.763

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D621-0004 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D621-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D621-0004?
Check Price and Availability of D621-0004, 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 D621-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D621-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D621-0004
  • 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 D621-0004 available by request