D041-0039 Screening compound: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(methylsulfanyl)pyrimidin-5-amine

D041-0039 Screening compound: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(methylsulfanyl)pyrimidin-5-amine
D041-0039 Screening compound: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(methylsulfanyl)pyrimidin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0039
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(methylsulfanyl)pyrimidin-5-amine

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

D041-0039

Molecular Formula

C16H16N4OS2 (C16 H16 N4 OS2)

Compound Name

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(methylsulfanyl)pyrimidin-5-amine

IUPAC name

N-[4-(4-methoxyphenyl)-5-methyl-13-thiazol-2-yl]-2-(methylsulfanyl)pyrimidin-5-amine

SMILES

Cc1c(-c(cc2)ccc2OC)nc(Nc(cn2)cnc2SC)s1

InChI

InChI=1S/C16H16N4OS2/c1-10-14(11-4-6-13(21-2)7-5-11)20-16(23-10)19-12-8-17-15(22-3)18-9-12/h4-9H,1-3H3,(H,19,20)

InChI Key

PDKSWFUFIKEIPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01647336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.556

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.25

Polar Surface Area

45.577

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D041-0039 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

KRAS-Targeted Library (16000 compounds)

Purinergic Library (3321 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with D041-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0039?
Check Price and Availability of D041-0039, 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 D041-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0039
  • 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 D041-0039 available by request