A0012866 Screening compound: ethyl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4-methyl-1,3-thiazole-5-carboxylate

A0012866 Screening compound: ethyl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4-methyl-1,3-thiazole-5-carboxylate
A0012866 Screening compound: ethyl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0012866
ethyl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4-methyl-1,3-thiazole-5-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

A0012866

Molecular Formula

C23H20F3N5O5S (C23 H20 F3 N5 O5 S)

Compound Name

ethyl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[5-(34-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)cc(OC)c4OC)nc3c2)=O)s1)=O

InChI

InChI=1S/C23H20F3N5O5S/c1-5-36-21(33)19-11(2)27-22(37-19)29-20(32)14-10-18-28-13(9-17(23(24,25)26)31(18)30-14)12-6-7-15(34-3)16(8-12)35-4/h6-10H,5H2,1-4H3,(H,27,29,32)

InChI Key

GVLRCWYOKZQVOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.729

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.58

Polar Surface Area

88.127

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

A0012866 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with A0012866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0012866?
Check Price and Availability of A0012866, 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 A0012866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0012866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0012866
  • 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 A0012866 available by request