G617-0295 Screening compound: 3-(4-benzylpiperidin-1-yl)-6-bromo-4H-thiochromen-4-one

G617-0295 Screening compound: 3-(4-benzylpiperidin-1-yl)-6-bromo-4H-thiochromen-4-one
G617-0295 Screening compound: 3-(4-benzylpiperidin-1-yl)-6-bromo-4H-thiochromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G617-0295
3-(4-benzylpiperidin-1-yl)-6-bromo-4H-thiochromen-4-one

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

G617-0295

Molecular Formula

C21H20BrNOS (C21 H20 BrNOS)

Compound Name

3-(4-benzylpiperidin-1-yl)-6-bromo-4H-thiochromen-4-one

IUPAC name

3-(4-benzylpiperidin-1-yl)-6-bromo-4H-thiochromen-4-one

SMILES

O=C1C(N2CCC(Cc3ccccc3)CC2)=CSc(cc2)c1cc2Br

InChI

InChI=1S/C21H20BrNOS/c22-17-6-7-20-18(13-17)21(24)19(14-25-20)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2

InChI Key

QPSSZBHCCYINJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14019620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.310

Distribution Coefficient, logD

6.304

Water Solubility, LogSw

-6.07

Polar Surface Area

16.213

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G617-0295 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G617-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G617-0295?
Check Price and Availability of G617-0295, 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 G617-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G617-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G617-0295
  • 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 G617-0295 available by request