G851-0492 Screening compound: 1-[5-(piperidine-1-sulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-(pyrrolidin-1-yl)butane-1,4-dione

G851-0492 Screening compound: 1-[5-(piperidine-1-sulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-(pyrrolidin-1-yl)butane-1,4-dione
G851-0492 Screening compound: 1-[5-(piperidine-1-sulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-(pyrrolidin-1-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-0492
1-[5-(piperidine-1-sulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-(pyrrolidin-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

G851-0492

Molecular Formula

C21H29N3O4S (C21 H29 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(N(CC1)c(cc2)c1cc2S(N1CCCCC1)(=O)=O)=O)N1CCCC1

InChI

InChI=1S/C21H29N3O4S/c25-20(22-11-4-5-12-22)8-9-21(26)24-15-10-17-16-18(6-7-19(17)24)29(27,28)23-13-2-1-3-14-23/h6-7,16H,1-5,8-15H2

InChI Key

KYEMHOLJJFMRHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

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

2.000

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-2.70

Polar Surface Area

63.859

Acid Dissociation Constant (pKa)

22.18

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

G851-0492 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G851-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-0492?
Check Price and Availability of G851-0492, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G851-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-0492
  • 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 G851-0492 available by request