6049-2110 Screening compound: N~10~-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide

6049-2110 Screening compound: N~10~-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
6049-2110 Screening compound: N~10~-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2110
N~10~-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-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

6049-2110

Molecular Formula

C27H20ClF3N6O (C27 H20 ClF3 N6 O)

Compound Name

N~10~-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide

IUPAC name

N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-11-(trifluoromethyl)-121317-triazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)246101315-heptaene-14-carboxamide

SMILES

Cc1cc(NC(c2nn3c(C(F)(F)F)c(CCc4c-5cccc4)c5nc3c2)=O)nn1Cc(cc1)ccc1Cl

InChI

InChI=1S/C27H20ClF3N6O/c1-15-12-22(35-36(15)14-16-6-9-18(28)10-7-16)32-26(38)21-13-23-33-24-19-5-3-2-4-17(19)8-11-20(24)25(27(29,30)31)37(23)34-21/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,32,35,38)

InChI Key

QMKYDFSLHCRYCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02055755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.967

Distribution Coefficient, logD

5.863

Water Solubility, LogSw

-6.00

Polar Surface Area

60.767

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 6049-2110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2110?
Check Price and Availability of 6049-2110, 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 6049-2110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2110
  • 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 6049-2110 available by request