G122-0081 Screening compound: N-(3-methylbutyl)-5-(morpholin-4-yl)-4-phenylthiophene-2-carboxamide

G122-0081 Screening compound: N-(3-methylbutyl)-5-(morpholin-4-yl)-4-phenylthiophene-2-carboxamide
G122-0081 Screening compound: N-(3-methylbutyl)-5-(morpholin-4-yl)-4-phenylthiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G122-0081
N-(3-methylbutyl)-5-(morpholin-4-yl)-4-phenylthiophene-2-carboxamide

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

G122-0081

Molecular Formula

C20H26N2O2S (C20 H26 N2 O2 S)

Compound Name

N-(3-methylbutyl)-5-(morpholin-4-yl)-4-phenylthiophene-2-carboxamide

IUPAC name

N-(3-methylbutyl)-5-(morpholin-4-yl)-4-phenylthiophene-2-carboxamide

SMILES

CC(C)CCNC(c1cc(-c2ccccc2)c(N2CCOCC2)s1)=O

InChI

InChI=1S/C20H26N2O2S/c1-15(2)8-9-21-19(23)18-14-17(16-6-4-3-5-7-16)20(25-18)22-10-12-24-13-11-22/h3-7,14-15H,8-13H2,1-2H3,(H,21,23)

InChI Key

RVMCZUNENTYXOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14982331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.306

Distribution Coefficient, logD

4.306

Water Solubility, LogSw

-4.05

Polar Surface Area

36.923

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

G122-0081 in Drug Discovery

Included in Screening Libraries

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

Anti-Inflammatory Library (24602 compounds)

BRD4 Targeted Library (4534 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with G122-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G122-0081?
Check Price and Availability of G122-0081, 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 G122-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G122-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G122-0081
  • 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 G122-0081 available by request