2774-0450 Screening compound: N-{3-[(5-chloropyridin-3-yl)oxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

2774-0450 Screening compound: N-{3-[(5-chloropyridin-3-yl)oxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
2774-0450 Screening compound: N-{3-[(5-chloropyridin-3-yl)oxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2774-0450
N-{3-[(5-chloropyridin-3-yl)oxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-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

2774-0450

Molecular Formula

C23H12ClF3N6O4S (C23 H12 ClF3 N6 O4 S)

Compound Name

N-{3-[(5-chloropyridin-3-yl)oxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-{3-[(5-chloropyridin-3-yl)oxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

[O-][N+](c1cc(NC(c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2)=O)cc(Oc2cc(Cl)cnc2)c1)=O

InChI

InChI=1S/C23H12ClF3N6O4S/c24-12-4-16(11-28-10-12)37-15-6-13(5-14(7-15)33(35)36)29-22(34)18-9-21-30-17(19-2-1-3-38-19)8-20(23(25,26)27)32(21)31-18/h1-11H,(H,29,34)

InChI Key

DVKDQBSFGIKWLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01000144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.9

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.205

Distribution Coefficient, logD

6.203

Water Solubility, LogSw

-6.45

Polar Surface Area

92.244

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2774-0450 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 2774-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2774-0450?
Check Price and Availability of 2774-0450, 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 2774-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2774-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2774-0450
  • 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 2774-0450 available by request