C201-0642 Screening compound: 5-(chloromethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(methylsulfanyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one

C201-0642 Screening compound: 5-(chloromethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(methylsulfanyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
C201-0642 Screening compound: 5-(chloromethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(methylsulfanyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0642
5-(chloromethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(methylsulfanyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-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

C201-0642

Molecular Formula

C18H16ClN5O4S (C18 H16 ClN5 O4 S)

Compound Name

5-(chloromethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(methylsulfanyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one

IUPAC name

5-(chloromethyl)-3-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-2-(methylsulfanyl)-4H7H-pyrazolo[15-a]pyrimidin-7-one

SMILES

COc(ccc(-c1noc(-c2c(NC(CCl)=CC3=O)n3nc2SC)n1)c1)c1OC

InChI

InChI=1S/C18H16ClN5O4S/c1-26-11-5-4-9(6-12(11)27-2)15-21-17(28-23-15)14-16-20-10(8-19)7-13(25)24(16)22-18(14)29-3/h4-7,20H,8H2,1-3H3

InChI Key

JXKZJMZWYOMPLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

2.915

Water Solubility, LogSw

-3.58

Polar Surface Area

85.301

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C201-0642 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C201-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0642?
Check Price and Availability of C201-0642, 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 C201-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0642
  • 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 C201-0642 available by request