8008-5621 Screening compound: [(4-methylphenyl)carbamoyl]methyl 2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate

8008-5621 Screening compound: [(4-methylphenyl)carbamoyl]methyl 2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate
8008-5621 Screening compound: [(4-methylphenyl)carbamoyl]methyl 2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5621
[(4-methylphenyl)carbamoyl]methyl 2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate

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

8008-5621

Molecular Formula

C27H23N3O3S (C27 H23 N3 O3 S)

Compound Name

[(4-methylphenyl)carbamoyl]methyl 2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate

IUPAC name

[(4-methylphenyl)carbamoyl]methyl 2-[(46-diphenylpyrimidin-2-yl)sulfanyl]acetate

SMILES

Cc(cc1)ccc1NC(COC(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)=O)=O

InChI

InChI=1S/C27H23N3O3S/c1-19-12-14-22(15-13-19)28-25(31)17-33-26(32)18-34-27-29-23(20-8-4-2-5-9-20)16-24(30-27)21-10-6-3-7-11-21/h2-16H,17-18H2,1H3,(H,28,31)

InChI Key

VXSKQKXJQHWYON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.573

Distribution Coefficient, logD

6.573

Water Solubility, LogSw

-5.56

Polar Surface Area

60.401

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8008-5621 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-5621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5621?
Check Price and Availability of 8008-5621, 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 8008-5621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5621
  • 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 8008-5621 available by request