A0013090 Screening compound: ethyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]piperidine-1-carboxylate

A0013090 Screening compound: ethyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]piperidine-1-carboxylate
A0013090 Screening compound: ethyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0013090
ethyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]piperidine-1-carboxylate

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

A0013090

Molecular Formula

C24H26F3N5O5 (C24 H26 F3 N5 O5)

Compound Name

ethyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[5-(34-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c(cnn1c(C(F)(F)F)c2)c1nc2-c(cc1)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C24H26F3N5O5/c1-4-37-23(34)31-9-7-15(8-10-31)29-22(33)16-13-28-32-20(24(25,26)27)12-17(30-21(16)32)14-5-6-18(35-2)19(11-14)36-3/h5-6,11-13,15H,4,7-10H2,1-3H3,(H,29,33)

InChI Key

OHMHYCIZFOZBTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.735

Distribution Coefficient, logD

3.735

Water Solubility, LogSw

-3.91

Polar Surface Area

81.347

Acid Dissociation Constant (pKa)

15.16

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

A0013090 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with A0013090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0013090?
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What is the minimum amount of A0013090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0013090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0013090
  • 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 A0013090 available by request