G289-0148 Screening compound: 1-{1-methyl-1H,4H,5H-thieno[2,3-g]indazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

G289-0148 Screening compound: 1-{1-methyl-1H,4H,5H-thieno[2,3-g]indazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
G289-0148 Screening compound: 1-{1-methyl-1H,4H,5H-thieno[2,3-g]indazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G289-0148
1-{1-methyl-1H,4H,5H-thieno[2,3-g]indazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

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

G289-0148

Molecular Formula

C22H21F3N4OS (C22 H21 F3 N4 OS)

Compound Name

1-{1-methyl-1H,4H,5H-thieno[2,3-g]indazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-{1-methyl-1H4H5H-thieno[23-g]indazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

Cn1nc(C(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)=O)c(CC2)c1-c1c2scc1

InChI

InChI=1S/C22H21F3N4OS/c1-27-20-16-7-12-31-18(16)6-5-17(20)19(26-27)21(30)29-10-8-28(9-11-29)15-4-2-3-14(13-15)22(23,24)25/h2-4,7,12-13H,5-6,8-11H2,1H3

InChI Key

LIJGPNHICJIPAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14995006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.11

Polar Surface Area

35.488

Acid Dissociation Constant (pKa)

20.16

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G289-0148 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 G289-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G289-0148?
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What is the minimum amount of G289-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G289-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G289-0148
  • 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 G289-0148 available by request