D482-2363 Screening compound: N-(4-{[6-(3-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidin-4-yl]amino}phenyl)acetamide

D482-2363 Screening compound: N-(4-{[6-(3-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidin-4-yl]amino}phenyl)acetamide
D482-2363 Screening compound: N-(4-{[6-(3-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidin-4-yl]amino}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D482-2363
N-(4-{[6-(3-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidin-4-yl]amino}phenyl)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

D482-2363

Molecular Formula

C27H26N4OS (C27 H26 N4 OS)

Compound Name

N-(4-{[6-(3-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidin-4-yl]amino}phenyl)acetamide

IUPAC name

N-(4-{[6-(3-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidin-4-yl]amino}phenyl)acetamide

SMILES

CC(Nc(cc1)ccc1Nc1cc(-c2cc(C)ccc2)nc(SCc2ccc(C)cc2)n1)=O

InChI

InChI=1S/C27H26N4OS/c1-18-7-9-21(10-8-18)17-33-27-30-25(22-6-4-5-19(2)15-22)16-26(31-27)29-24-13-11-23(12-14-24)28-20(3)32/h4-16H,17H2,1-3H3,(H,28,32)(H,29,30,31)

InChI Key

GQGBEAUOTIFHPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10568126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.6

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

6.568

Distribution Coefficient, logD

6.541

Water Solubility, LogSw

-5.56

Polar Surface Area

49.730

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

D482-2363 in Drug Discovery

Included in Screening Libraries

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

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 D482-2363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D482-2363?
Check Price and Availability of D482-2363, 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 D482-2363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D482-2363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D482-2363
  • 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 D482-2363 available by request