8013-3099 Screening compound: N~2~-{4-[chloro(difluoro)methoxy]phenyl}-5-(4-chlorophenyl)-N~2~-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

8013-3099 Screening compound: N~2~-{4-[chloro(difluoro)methoxy]phenyl}-5-(4-chlorophenyl)-N~2~-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
8013-3099 Screening compound: N~2~-{4-[chloro(difluoro)methoxy]phenyl}-5-(4-chlorophenyl)-N~2~-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3099
N~2~-{4-[chloro(difluoro)methoxy]phenyl}-5-(4-chlorophenyl)-N~2~-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

8013-3099

Molecular Formula

C22H13Cl2F5N4O2 (C22 H13 Cl2 F5 N4 O2)

Compound Name

N~2~-{4-[chloro(difluoro)methoxy]phenyl}-5-(4-chlorophenyl)-N~2~-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-[4-(chlorodifluoromethoxy)phenyl]-5-(4-chlorophenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

CN(C(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3Cl)nc2c1)=O)c(cc1)ccc1OC(F)(F)Cl

InChI

InChI=1S/C22H13Cl2F5N4O2/c1-32(14-6-8-15(9-7-14)35-22(24,28)29)20(34)17-11-19-30-16(12-2-4-13(23)5-3-12)10-18(21(25,26)27)33(19)31-17/h2-11H,1H3

InChI Key

KSDRGCADWUMGKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.226

Distribution Coefficient, logD

6.226

Water Solubility, LogSw

-6.36

Polar Surface Area

40.264

Acid Dissociation Constant (pKa)

30.56

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

References: we are preparing a list of scientific research reports with 8013-3099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3099?
Check Price and Availability of 8013-3099, 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 8013-3099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3099
  • 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 8013-3099 available by request