G015-0677 Screening compound: 1-{1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbonyl}azepane

G015-0677 Screening compound: 1-{1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbonyl}azepane
G015-0677 Screening compound: 1-{1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound G015-0677
1-{1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbonyl}azepane

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

G015-0677

Molecular Formula

C19H28N6OS (C19 H28 N6 OS)

Compound Name

1-{1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carbonyl}azepane

IUPAC name

1-{1-[5-(4-ethylpiperazin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrole-2-carbonyl}azepane

SMILES

CCN(CC1)CCN1c1nnc(-n2c(C(N3CCCCCC3)=O)ccc2)s1

InChI

InChI=1S/C19H28N6OS/c1-2-22-12-14-24(15-13-22)18-20-21-19(27-18)25-11-7-8-16(25)17(26)23-9-5-3-4-6-10-23/h7-8,11H,2-6,9-10,12-15H2,1H3

InChI Key

OYAXPIOVQMWBRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-3.02

Polar Surface Area

49.389

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

G015-0677 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G015-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G015-0677?
Check Price and Availability of G015-0677, 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 G015-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G015-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G015-0677
  • 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 G015-0677 available by request