G668-0265 Screening compound: N-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide

G668-0265 Screening compound: N-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide
G668-0265 Screening compound: N-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0265
N-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1-benzopyran-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

G668-0265

Molecular Formula

C23H29N3O2 (C23 H29 N3 O2)

Compound Name

N-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide

IUPAC name

N-[3-(4-phenylpiperazin-1-yl)propyl]-34-dihydro-2H-1-benzopyran-3-carboxamide

SMILES

O=C(C(C1)COc2c1cccc2)NCCCN(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H29N3O2/c27-23(20-17-19-7-4-5-10-22(19)28-18-20)24-11-6-12-25-13-15-26(16-14-25)21-8-2-1-3-9-21/h1-5,7-10,20H,6,11-18H2,(H,24,27)/t20-/m0/s1

InChI Key

PTFZRVIGYPJTBC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15027659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.073

Distribution Coefficient, logD

2.487

Water Solubility, LogSw

-3.09

Polar Surface Area

40.106

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

G668-0265 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G668-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0265?
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What is the minimum amount of G668-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0265
  • 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 G668-0265 available by request