G015-0053 Screening compound: N-[(4-methoxyphenyl)methyl]-1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide

G015-0053 Screening compound: N-[(4-methoxyphenyl)methyl]-1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
G015-0053 Screening compound: N-[(4-methoxyphenyl)methyl]-1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G015-0053
N-[(4-methoxyphenyl)methyl]-1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-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

G015-0053

Molecular Formula

C19H21N5O3S (C19 H21 N5 O3 S)

Compound Name

N-[(4-methoxyphenyl)methyl]-1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-1-[5-(morpholin-4-yl)-134-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide

SMILES

COc1ccc(CNC(c2cccn2-c2nnc(N3CCOCC3)s2)=O)cc1

InChI

InChI=1S/C19H21N5O3S/c1-26-15-6-4-14(5-7-15)13-20-17(25)16-3-2-8-24(16)19-22-21-18(28-19)23-9-11-27-12-10-23/h2-8H,9-13H2,1H3,(H,20,25)

InChI Key

HGWUDKIUTPEWGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.755

Distribution Coefficient, logD

2.755

Water Solubility, LogSw

-3.06

Polar Surface Area

68.739

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G015-0053 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G015-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G015-0053?
Check Price and Availability of G015-0053, 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 G015-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G015-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G015-0053
  • 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 G015-0053 available by request