G122-1812 Screening compound: 1-{5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]thiophen-2-yl}-2,3-dihydro-1H-indole

G122-1812 Screening compound: 1-{5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]thiophen-2-yl}-2,3-dihydro-1H-indole
G122-1812 Screening compound: 1-{5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]thiophen-2-yl}-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound G122-1812
1-{5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]thiophen-2-yl}-2,3-dihydro-1H-indole

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

G122-1812

Molecular Formula

C25H27N3OS (C25 H27 N3 OS)

Compound Name

1-{5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]thiophen-2-yl}-2,3-dihydro-1H-indole

IUPAC name

1-{5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]thiophen-2-yl}-23-dihydro-1H-indole

SMILES

CC(CN(CC1)C(c2ccc(N(CC3)c4c3cccc4)s2)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C25H27N3OS/c1-18-6-5-8-21(16-18)27-15-14-26(17-19(27)2)25(29)23-10-11-24(30-23)28-13-12-20-7-3-4-9-22(20)28/h3-11,16,19H,12-15,17H2,1-2H3/t19-/m0/s1

InChI Key

VIYHTWXGWWTEIY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14982513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.828

Distribution Coefficient, logD

5.828

Water Solubility, LogSw

-5.43

Polar Surface Area

23.218

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

G122-1812 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 G122-1812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G122-1812?
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What is the minimum amount of G122-1812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G122-1812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G122-1812
  • 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 G122-1812 available by request