G636-2487 Screening compound: 1-[(1-methyl-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1H-pyrrol-3-yl)sulfonyl]azepane

G636-2487 Screening compound: 1-[(1-methyl-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1H-pyrrol-3-yl)sulfonyl]azepane
G636-2487 Screening compound: 1-[(1-methyl-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1H-pyrrol-3-yl)sulfonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound G636-2487
1-[(1-methyl-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1H-pyrrol-3-yl)sulfonyl]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

G636-2487

Molecular Formula

C23H29F3N4O3S (C23 H29 F3 N4 O3 S)

Compound Name

1-[(1-methyl-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1H-pyrrol-3-yl)sulfonyl]azepane

IUPAC name

1-[(1-methyl-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1H-pyrrol-3-yl)sulfonyl]azepane

SMILES

Cn1c(C(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)=O)cc(S(N2CCCCCC2)(=O)=O)c1

InChI

InChI=1S/C23H29F3N4O3S/c1-27-17-20(34(32,33)30-9-4-2-3-5-10-30)16-21(27)22(31)29-13-11-28(12-14-29)19-8-6-7-18(15-19)23(24,25)26/h6-8,15-17H,2-5,9-14H2,1H3

InChI Key

KRASUKWFIQOZKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.499

Distribution Coefficient, logD

3.499

Water Solubility, LogSw

-3.79

Polar Surface Area

54.499

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

G636-2487 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G636-2487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G636-2487?
Check Price and Availability of G636-2487, 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 G636-2487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G636-2487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G636-2487
  • 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 G636-2487 available by request