G669-1292 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-bromo-2H-chromene-3-carboxamide

G669-1292 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-bromo-2H-chromene-3-carboxamide
G669-1292 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-bromo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G669-1292
N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-bromo-2H-chromene-3-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

G669-1292

Molecular Formula

C23H26BrN3O2 (C23 H26 BrN3 O2)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-bromo-2H-chromene-3-carboxamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-bromo-2H-chromene-3-carboxamide

SMILES

O=C(C1=Cc(cc(cc2)Br)c2OC1)NCCN1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C23H26BrN3O2/c24-21-6-7-22-19(15-21)14-20(17-29-22)23(28)25-8-9-26-10-12-27(13-11-26)16-18-4-2-1-3-5-18/h1-7,14-15H,8-13,16-17H2,(H,25,28)

InChI Key

XNYJDMBSZRKMQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15028091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.440

Distribution Coefficient, logD

2.771

Water Solubility, LogSw

-3.57

Polar Surface Area

40.386

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G669-1292 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G669-1292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G669-1292?
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What is the minimum amount of G669-1292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G669-1292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G669-1292
  • 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 G669-1292 available by request