G889-1244 Screening compound: 2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-(thiophene-2-amido)benzoic acid

G889-1244 Screening compound: 2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-(thiophene-2-amido)benzoic acid
G889-1244 Screening compound: 2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-(thiophene-2-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-1244
2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-(thiophene-2-amido)benzoic acid

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

G889-1244

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-(thiophene-2-amido)benzoic acid

IUPAC name

2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-(thiophene-2-amido)benzoic acid

SMILES

OC(c(cc(cc1)NC(c2cccs2)=O)c1N1CC(CN2CCCC2)CCC1)=O

InChI

InChI=1S/C22H27N3O3S/c26-21(20-6-4-12-29-20)23-17-7-8-19(18(13-17)22(27)28)25-11-3-5-16(15-25)14-24-9-1-2-10-24/h4,6-8,12-13,16H,1-3,5,9-11,14-15H2,(H,23,26)(H,27,28)/t16-/m1/s1

InChI Key

BHMRUCNFPFSHLV-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27166412

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

3.694

Water Solubility, LogSw

-4.01

Polar Surface Area

59.940

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

G889-1244 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G889-1244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-1244?
Check Price and Availability of G889-1244, 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 G889-1244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-1244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-1244
  • 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 G889-1244 available by request