A0012868 Screening compound: 1,3-dimethyl 5-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzene-1,3-dicarboxylate

A0012868 Screening compound: 1,3-dimethyl 5-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzene-1,3-dicarboxylate
A0012868 Screening compound: 1,3-dimethyl 5-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0012868
1,3-dimethyl 5-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzene-1,3-dicarboxylate

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

A0012868

Molecular Formula

C26H21F3N4O7 (C26 H21 F3 N4 O7)

Compound Name

1,3-dimethyl 5-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[5-(34-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)cc(OC)c4OC)nc3c2)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C26H21F3N4O7/c1-37-19-6-5-13(10-20(19)38-2)17-11-21(26(27,28)29)33-22(31-17)12-18(32-33)23(34)30-16-8-14(24(35)39-3)7-15(9-16)25(36)40-4/h5-12H,1-4H3,(H,30,34)

InChI Key

SKGPTHZRJRSVAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.999

Distribution Coefficient, logD

4.998

Water Solubility, LogSw

-4.87

Polar Surface Area

99.097

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with A0012868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0012868?
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What is the minimum amount of A0012868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0012868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0012868
  • 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 A0012868 available by request