6049-2177 Screening compound: 11-chloro-N~10~-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide

6049-2177 Screening compound: 11-chloro-N~10~-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
6049-2177 Screening compound: 11-chloro-N~10~-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2177
11-chloro-N~10~-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-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

6049-2177

Molecular Formula

C29H24ClF3N6O (C29 H24 ClF3 N6 O)

Compound Name

11-chloro-N~10~-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide

IUPAC name

15-chloro-N-{35-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-11-(trifluoromethyl)-121317-triazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)246101315-heptaene-14-carboxamide

SMILES

Cc(n(Cc1c(C)cccc1)nc1C)c1NC(c1nn2c(C(F)(F)F)c(CCc3c-4cccc3)c4nc2c1Cl)=O

InChI

InChI=1S/C29H24ClF3N6O/c1-15-8-4-5-10-19(15)14-38-17(3)23(16(2)36-38)35-28(40)25-22(30)27-34-24-20-11-7-6-9-18(20)12-13-21(24)26(29(31,32)33)39(27)37-25/h4-11H,12-14H2,1-3H3,(H,35,40)

InChI Key

XPJPFJQISDHGRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02056078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565

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

5.907

Distribution Coefficient, logD

5.899

Water Solubility, LogSw

-6.02

Polar Surface Area

57.452

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

6049-2177 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6049-2177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2177?
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What is the minimum amount of 6049-2177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2177
  • 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 6049-2177 available by request