7610-1763 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7610-1763 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
7610-1763 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7610-1763
5-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-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

7610-1763

Molecular Formula

C20H13F3N4O3S (C20 H13 F3 N4 O3 S)

Compound Name

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

IUPAC name

5-(2H-13-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

O=C(c(cnn1c(C(F)(F)F)c2)c1nc2-c(cc1)cc2c1OCO2)NCc1cccs1

InChI

InChI=1S/C20H13F3N4O3S/c21-20(22,23)17-7-14(11-3-4-15-16(6-11)30-10-29-15)26-18-13(9-25-27(17)18)19(28)24-8-12-2-1-5-31-12/h1-7,9H,8,10H2,(H,24,28)

InChI Key

KKGNTCPYAPTAKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01597014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.44

Polar Surface Area

61.715

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

7610-1763 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7610-1763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7610-1763?
Check Price and Availability of 7610-1763, 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 7610-1763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7610-1763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7610-1763
  • 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 7610-1763 available by request