8013-2777 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[4-(chlorodifluoromethoxy)phenyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

8013-2777 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[4-(chlorodifluoromethoxy)phenyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
8013-2777 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[4-(chlorodifluoromethoxy)phenyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2777
5-(2H-1,3-benzodioxol-5-yl)-N-[4-(chlorodifluoromethoxy)phenyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

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

8013-2777

Molecular Formula

C23H14ClF5N4O4 (C23 H14 ClF5 N4 O4)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-N-[4-(chlorodifluoromethoxy)phenyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

5-(2H-13-benzodioxol-5-yl)-N-[4-(chlorodifluoromethoxy)phenyl]-N-methyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

CN(C(c1nn2c(C(F)(F)F)cc(-c(cc3)cc4c3OCO4)nc2c1)=O)c(cc1)ccc1OC(F)(F)Cl

InChI

InChI=1S/C23H14ClF5N4O4/c1-32(13-3-5-14(6-4-13)37-23(24,28)29)21(34)16-10-20-30-15(9-19(22(25,26)27)33(20)31-16)12-2-7-17-18(8-12)36-11-35-17/h2-10H,11H2,1H3

InChI Key

SPEVJFRVKSQTGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.430

Distribution Coefficient, logD

5.430

Water Solubility, LogSw

-6.03

Polar Surface Area

57.379

Acid Dissociation Constant (pKa)

30.56

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 8013-2777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2777?
Check Price and Availability of 8013-2777, 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 8013-2777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2777
  • 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 8013-2777 available by request