A0013355 Screening compound: 1,4-dimethyl 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzene-1,4-dicarboxylate

A0013355 Screening compound: 1,4-dimethyl 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzene-1,4-dicarboxylate
A0013355 Screening compound: 1,4-dimethyl 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0013355
1,4-dimethyl 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzene-1,4-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

A0013355

Molecular Formula

C22H15F3N4O6 (C22 H15 F3 N4 O6)

Compound Name

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

IUPAC name

14-dimethyl 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-amido]benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(c(cnn2c(C(F)(F)F)c3)c2nc3-c2ccco2)=O)c1C(OC)=O)=O

InChI

InChI=1S/C22H15F3N4O6/c1-33-20(31)11-5-6-12(21(32)34-2)14(8-11)28-19(30)13-10-26-29-17(22(23,24)25)9-15(27-18(13)29)16-4-3-7-35-16/h3-10H,1-2H3,(H,28,30)

InChI Key

RFOCLDLAFCXXRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.794

Distribution Coefficient, logD

3.290

Water Solubility, LogSw

-4.03

Polar Surface Area

92.487

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with A0013355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0013355?
Check Price and Availability of A0013355, 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 A0013355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0013355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0013355
  • 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 A0013355 available by request