M872-3888 Screening compound: 1-[6-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyrimidin-4-yl]-N-cyclopropyl-1H-pyrazole-3-carboxamide

M872-3888 Screening compound: 1-[6-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyrimidin-4-yl]-N-cyclopropyl-1H-pyrazole-3-carboxamide
M872-3888 Screening compound: 1-[6-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyrimidin-4-yl]-N-cyclopropyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M872-3888
1-[6-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyrimidin-4-yl]-N-cyclopropyl-1H-pyrazole-3-carboxamide

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

M872-3888

Molecular Formula

C20H18N6O4S (C20 H18 N6 O4 S)

Compound Name

1-[6-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyrimidin-4-yl]-N-cyclopropyl-1H-pyrazole-3-carboxamide

IUPAC name

1-[6-({[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyrimidin-4-yl]-N-cyclopropyl-1H-pyrazole-3-carboxamide

SMILES

O=C(CSc1ncnc(-n(cc2)nc2C(NC2CC2)=O)c1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C20H18N6O4S/c27-18(23-13-3-4-15-16(7-13)30-11-29-15)9-31-19-8-17(21-10-22-19)26-6-5-14(25-26)20(28)24-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,23,27)(H,24,28)

InChI Key

WHRMPPLACYOPQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22594540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.292

Distribution Coefficient, logD

2.292

Water Solubility, LogSw

-3.02

Polar Surface Area

97.576

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M872-3888 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M872-3888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M872-3888?
Check Price and Availability of M872-3888, 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 M872-3888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M872-3888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M872-3888
  • 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 M872-3888 available by request