8016-6148 Screening compound: N~1~-[3-(2,5-dioxo-3-{4-[4-(2-thienylcarbonyl)phenyl]piperazino}-1-pyrrolidinyl)phenyl]acetamide

8016-6148 Screening compound: N~1~-[3-(2,5-dioxo-3-{4-[4-(2-thienylcarbonyl)phenyl]piperazino}-1-pyrrolidinyl)phenyl]acetamide
8016-6148 Screening compound: N~1~-[3-(2,5-dioxo-3-{4-[4-(2-thienylcarbonyl)phenyl]piperazino}-1-pyrrolidinyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6148
N~1~-[3-(2,5-dioxo-3-{4-[4-(2-thienylcarbonyl)phenyl]piperazino}-1-pyrrolidinyl)phenyl]acetamide

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

8016-6148

Molecular Formula

C27H26N4O4S (C27 H26 N4 O4 S)

Compound Name

N~1~-[3-(2,5-dioxo-3-{4-[4-(2-thienylcarbonyl)phenyl]piperazino}-1-pyrrolidinyl)phenyl]acetamide

IUPAC name

n/a

SMILES

CC(Nc1cccc(N(C(CC2N(CC3)CCN3c(cc3)ccc3C(c3cccs3)=O)=O)C2=O)c1)=O

InChI

InChI=1S/C27H26N4O4S/c1-18(32)28-20-4-2-5-22(16-20)31-25(33)17-23(27(31)35)30-13-11-29(12-14-30)21-9-7-19(8-10-21)26(34)24-6-3-15-36-24/h2-10,15-16,23H,11-14,17H2,1H3,(H,28,32)/t23-/m0/s1

InChI Key

ZELOINDUMCSNGD-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.527

Distribution Coefficient, logD

2.527

Water Solubility, LogSw

-3.01

Polar Surface Area

72.996

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 8016-6148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6148?
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What is the minimum amount of 8016-6148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6148
  • 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 8016-6148 available by request