K061-0978 Screening compound: N-[3-(diethylamino)propyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

K061-0978 Screening compound: N-[3-(diethylamino)propyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
K061-0978 Screening compound: N-[3-(diethylamino)propyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0978
N-[3-(diethylamino)propyl]-5-(4-nitrophenyl)-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

K061-0978

Molecular Formula

C21H23F3N6O3 (C21 H23 F3 N6 O3)

Compound Name

N-[3-(diethylamino)propyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-[3-(diethylamino)propyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

CCN(CC)CCCNC(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3[N+]([O-])=O)nc2c1)=O

InChI

InChI=1S/C21H23F3N6O3/c1-3-28(4-2)11-5-10-25-20(31)17-13-19-26-16(12-18(21(22,23)24)29(19)27-17)14-6-8-15(9-7-14)30(32)33/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,25,31)

InChI Key

SQKJUCMITUMTIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.018

Distribution Coefficient, logD

1.297

Water Solubility, LogSw

-3.98

Polar Surface Area

79.717

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with K061-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0978?
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What is the minimum amount of K061-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0978
  • 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 K061-0978 available by request