D715-0845 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4,5-dimethoxy-1H-indole-2-carboxamide

D715-0845 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4,5-dimethoxy-1H-indole-2-carboxamide
D715-0845 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4,5-dimethoxy-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-0845
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4,5-dimethoxy-1H-indole-2-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

D715-0845

Molecular Formula

C24H28N4O4 (C24 H28 N4 O4)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4,5-dimethoxy-1H-indole-2-carboxamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-45-dimethoxy-1H-indole-2-carboxamide

SMILES

COc(ccc1c2cc(C(NCC(N3CCN(Cc4ccccc4)CC3)=O)=O)[nH]1)c2OC

InChI

InChI=1S/C24H28N4O4/c1-31-21-9-8-19-18(23(21)32-2)14-20(26-19)24(30)25-15-22(29)28-12-10-27(11-13-28)16-17-6-4-3-5-7-17/h3-9,14,26H,10-13,15-16H2,1-2H3,(H,25,30)

InChI Key

BTBDCYNAJBUTBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09855410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.221

Distribution Coefficient, logD

2.205

Water Solubility, LogSw

-2.98

Polar Surface Area

69.281

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D715-0845 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 D715-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-0845?
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What is the minimum amount of D715-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-0845
  • 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 D715-0845 available by request