C885-1195 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}pyrrolidine-2-carboxamide

C885-1195 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}pyrrolidine-2-carboxamide
C885-1195 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-1195
N-(5-chloro-2,4-dimethoxyphenyl)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}pyrrolidine-2-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

C885-1195

Molecular Formula

C19H20ClN5O4S (C19 H20 ClN5 O4 S)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}pyrrolidine-2-carboxamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-1-{7-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-2-yl}pyrrolidine-2-carboxamide

SMILES

CC(N=C1SC(N(CCC2)C2C(Nc(c(OC)c2)cc(Cl)c2OC)=O)=NN11)=CC1=O

InChI

InChI=1S/C19H20ClN5O4S/c1-10-7-16(26)25-18(21-10)30-19(23-25)24-6-4-5-13(24)17(27)22-12-8-11(20)14(28-2)9-15(12)29-3/h7-9,13H,4-6H2,1-3H3,(H,22,27)/t13-/m0/s1

InChI Key

JQGANJGTINBLBF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD26966976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.92

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

2.465

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-3.35

Polar Surface Area

78.685

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

C885-1195 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C885-1195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-1195?
Check Price and Availability of C885-1195, 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 C885-1195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-1195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-1195
  • 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 C885-1195 available by request