G851-0494 Screening compound: 1-(pyrrolidin-1-yl)-4-[5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1H-indol-1-yl]butane-1,4-dione

G851-0494 Screening compound: 1-(pyrrolidin-1-yl)-4-[5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1H-indol-1-yl]butane-1,4-dione
G851-0494 Screening compound: 1-(pyrrolidin-1-yl)-4-[5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1H-indol-1-yl]butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-0494
1-(pyrrolidin-1-yl)-4-[5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1H-indol-1-yl]butane-1,4-dione

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

G851-0494

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

1-(pyrrolidin-1-yl)-4-[5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1H-indol-1-yl]butane-1,4-dione

IUPAC name

1-(pyrrolidin-1-yl)-4-[5-(1234-tetrahydroisoquinoline-2-sulfonyl)-23-dihydro-1H-indol-1-yl]butane-14-dione

SMILES

O=C(CCC(N(CC1)c(cc2)c1cc2S(N(CC1)Cc2c1cccc2)(=O)=O)=O)N1CCCC1

InChI

InChI=1S/C25H29N3O4S/c29-24(26-13-3-4-14-26)9-10-25(30)28-16-12-20-17-22(7-8-23(20)28)33(31,32)27-15-11-19-5-1-2-6-21(19)18-27/h1-2,5-8,17H,3-4,9-16,18H2

InChI Key

XUAWZOYQTFJNOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

3.039

Water Solubility, LogSw

-3.60

Polar Surface Area

63.521

Acid Dissociation Constant (pKa)

22.18

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G851-0494 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G851-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-0494?
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What is the minimum amount of G851-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-0494
  • 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 G851-0494 available by request