G015-1113 Screening compound: 1-(5-chloro-2-methylphenyl)-4-{1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbonyl}piperazine

G015-1113 Screening compound: 1-(5-chloro-2-methylphenyl)-4-{1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbonyl}piperazine
G015-1113 Screening compound: 1-(5-chloro-2-methylphenyl)-4-{1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G015-1113
1-(5-chloro-2-methylphenyl)-4-{1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbonyl}piperazine

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

G015-1113

Molecular Formula

C23H27ClN6OS (C23 H27 ClN6 OS)

Compound Name

1-(5-chloro-2-methylphenyl)-4-{1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbonyl}piperazine

IUPAC name

1-(5-chloro-2-methylphenyl)-4-{1-[5-(piperidin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrole-2-carbonyl}piperazine

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(c1cccn1-c1nnc(N2CCCCC2)s1)=O

InChI

InChI=1S/C23H27ClN6OS/c1-17-7-8-18(24)16-20(17)27-12-14-28(15-13-27)21(31)19-6-5-11-30(19)23-26-25-22(32-23)29-9-3-2-4-10-29/h5-8,11,16H,2-4,9-10,12-15H2,1H3

InChI Key

IAEPGVQRZUYKEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.03

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.365

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.81

Polar Surface Area

48.481

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

G015-1113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with G015-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G015-1113?
Check Price and Availability of G015-1113, 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 G015-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G015-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G015-1113
  • 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 G015-1113 available by request