2774-1380 Screening compound: 1-benzyl-4-[7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine

2774-1380 Screening compound: 1-benzyl-4-[7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine
2774-1380 Screening compound: 1-benzyl-4-[7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2774-1380
1-benzyl-4-[7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine

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

2774-1380

Molecular Formula

C28H28F3N5O4 (C28 H28 F3 N5 O4)

Compound Name

1-benzyl-4-[7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine

IUPAC name

1-benzyl-4-[7-(trifluoromethyl)-5-(345-trimethoxyphenyl)pyrazolo[15-a]pyrimidine-3-carbonyl]piperazine

SMILES

COc1cc(-c(cc(C(F)(F)F)n2nc3)nc2c3C(N2CCN(Cc3ccccc3)CC2)=O)cc(OC)c1OC

InChI

InChI=1S/C28H28F3N5O4/c1-38-22-13-19(14-23(39-2)25(22)40-3)21-15-24(28(29,30)31)36-26(33-21)20(16-32-36)27(37)35-11-9-34(10-12-35)17-18-7-5-4-6-8-18/h4-8,13-16H,9-12,17H2,1-3H3

InChI Key

OPQHZYNMIQWXOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01596977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.872

Distribution Coefficient, logD

3.857

Water Solubility, LogSw

-3.90

Polar Surface Area

62.334

Acid Dissociation Constant (pKa)

27.08

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

2774-1380 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 2774-1380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2774-1380?
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What is the minimum amount of 2774-1380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2774-1380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2774-1380
  • 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 2774-1380 available by request