2774-1912 Screening compound: 3-chloro-5-(furan-2-yl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

2774-1912 Screening compound: 3-chloro-5-(furan-2-yl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
2774-1912 Screening compound: 3-chloro-5-(furan-2-yl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2774-1912
3-chloro-5-(furan-2-yl)-N-(3-methoxy-5-nitrophenyl)-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

2774-1912

Molecular Formula

C19H11ClF3N5O5 (C19 H11 ClF3 N5 O5)

Compound Name

3-chloro-5-(furan-2-yl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

3-chloro-5-(furan-2-yl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

COc1cc([N+]([O-])=O)cc(NC(c2nn3c(C(F)(F)F)cc(-c4ccco4)nc3c2Cl)=O)c1

InChI

InChI=1S/C19H11ClF3N5O5/c1-32-11-6-9(5-10(7-11)28(30)31)24-18(29)16-15(20)17-25-12(13-3-2-4-33-13)8-14(19(21,22)23)27(17)26-16/h2-8H,1H3,(H,24,29)

InChI Key

IYIREOJCUSVQAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01528781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.77

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.724

Distribution Coefficient, logD

4.534

Water Solubility, LogSw

-5.07

Polar Surface Area

92.309

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

2774-1912 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 2774-1912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2774-1912?
Check Price and Availability of 2774-1912, 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 2774-1912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2774-1912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2774-1912
  • 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 2774-1912 available by request