C081-0773 Screening compound: 6-{3-[4-(4-nitrophenyl)piperazino]-3-oxopropyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

C081-0773 Screening compound: 6-{3-[4-(4-nitrophenyl)piperazino]-3-oxopropyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
C081-0773 Screening compound: 6-{3-[4-(4-nitrophenyl)piperazino]-3-oxopropyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C081-0773
6-{3-[4-(4-nitrophenyl)piperazino]-3-oxopropyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

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

C081-0773

Molecular Formula

C20H19N5O5 (C20 H19 N5 O5)

Compound Name

6-{3-[4-(4-nitrophenyl)piperazino]-3-oxopropyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

IUPAC name

n/a

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(CCN(C(c1c2nccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C20H19N5O5/c26-17(7-9-24-19(27)16-2-1-8-21-18(16)20(24)28)23-12-10-22(11-13-23)14-3-5-15(6-4-14)25(29)30/h1-6,8H,7,9-13H2

InChI Key

RKMSQWDEHQNFLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.456

Distribution Coefficient, logD

0.456

Water Solubility, LogSw

-2.05

Polar Surface Area

92.413

Acid Dissociation Constant (pKa)

23.86

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with C081-0773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C081-0773?
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What is the minimum amount of C081-0773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C081-0773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C081-0773
  • 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 C081-0773 available by request