6466-1736 Screening compound: 1,3-dimethyl 5-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzene-1,3-dicarboxylate

6466-1736 Screening compound: 1,3-dimethyl 5-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzene-1,3-dicarboxylate
6466-1736 Screening compound: 1,3-dimethyl 5-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1736
1,3-dimethyl 5-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-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

6466-1736

Molecular Formula

C25H20F2N4O6 (C25 H20 F2 N4 O6)

Compound Name

1,3-dimethyl 5-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[15-a]pyrimidine-3-amido]benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c(cnn2c(C(F)F)c3)c2nc3-c(cc2)ccc2OC)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C25H20F2N4O6/c1-35-17-6-4-13(5-7-17)19-11-20(21(26)27)31-22(30-19)18(12-28-31)23(32)29-16-9-14(24(33)36-2)8-15(10-16)25(34)37-3/h4-12,21H,1-3H3,(H,29,32)

InChI Key

RULRTPQUDCEOOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02373671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.45

Hydrogen Bond Acceptors Count

11.00

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

4.728

Water Solubility, LogSw

-4.52

Polar Surface Area

92.150

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 6466-1736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1736?
Check Price and Availability of 6466-1736, 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 6466-1736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1736
  • 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 6466-1736 available by request