C798-0572 Screening compound: 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

C798-0572 Screening compound: 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
C798-0572 Screening compound: 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0572
2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

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

C798-0572

Molecular Formula

C28H30F3N5O3 (C28 H30 F3 N5 O3)

Compound Name

2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H4H5H-furo[23-g]indazol-2-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

SMILES

Cc1c(C(N2CCCC2)=O)oc2c1-c1nn(CC(N(CC3)CCN3c3cccc(C(F)(F)F)c3)=O)cc1CC2

InChI

InChI=1S/C28H30F3N5O3/c1-18-24-22(39-26(18)27(38)35-9-2-3-10-35)8-7-19-16-36(32-25(19)24)17-23(37)34-13-11-33(12-14-34)21-6-4-5-20(15-21)28(29,30)31/h4-6,15-16H,2-3,7-14,17H2,1H3

InChI Key

JTVYLCKNYGEKBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.75

Polar Surface Area

60.503

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

C798-0572 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C798-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0572?
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What is the minimum amount of C798-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0572
  • 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 C798-0572 available by request