2774-1385 Screening compound: N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2774-1385 Screening compound: N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
2774-1385 Screening compound: N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2774-1385
N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-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

2774-1385

Molecular Formula

C29H21F4N5O7 (C29 H21 F4 N5 O7)

Compound Name

N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(345-trimethoxyphenyl)pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

COc1cc(-c(cc(C(F)(F)F)n2nc3)nc2c3C(Nc2cc(Oc(cc3)ccc3F)cc([N+]([O-])=O)c2)=O)cc(OC)c1OC

InChI

InChI=1S/C29H21F4N5O7/c1-42-23-8-15(9-24(43-2)26(23)44-3)22-13-25(29(31,32)33)37-27(36-22)21(14-34-37)28(39)35-17-10-18(38(40)41)12-20(11-17)45-19-6-4-16(30)5-7-19/h4-14H,1-3H3,(H,35,39)

InChI Key

VNRZTDMTDPHWKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01596990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

627.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.227

Distribution Coefficient, logD

6.216

Water Solubility, LogSw

-5.44

Polar Surface Area

105.366

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

2774-1385 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2774-1385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2774-1385?
Check Price and Availability of 2774-1385, 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 2774-1385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2774-1385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2774-1385
  • 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 2774-1385 available by request