D414-0045 Screening compound: 3-(dimethylamino)propyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

D414-0045 Screening compound: 3-(dimethylamino)propyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
D414-0045 Screening compound: 3-(dimethylamino)propyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D414-0045
3-(dimethylamino)propyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

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

D414-0045

Molecular Formula

C19H18F4N4O2 (C19 H18 F4 N4 O2)

Compound Name

3-(dimethylamino)propyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

IUPAC name

3-(dimethylamino)propyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxylate

SMILES

CN(C)CCCOC(c(cnn1c(C(F)(F)F)c2)c1nc2-c(cc1)ccc1F)=O

InChI

InChI=1S/C19H18F4N4O2/c1-26(2)8-3-9-29-18(28)14-11-24-27-16(19(21,22)23)10-15(25-17(14)27)12-4-6-13(20)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3

InChI Key

TXZZVSMRQYRHQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

1.324

Water Solubility, LogSw

-4.09

Polar Surface Area

44.081

Acid Dissociation Constant (pKa)

27.23

Base Dissociation Constant (pKb)

10.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with D414-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D414-0045?
Check Price and Availability of D414-0045, 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 D414-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D414-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D414-0045
  • 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 D414-0045 available by request