8004-3087 Screening compound: N'-(4-bromophenyl)-N-{2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl}ethanediamide

8004-3087 Screening compound: N'-(4-bromophenyl)-N-{2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl}ethanediamide
8004-3087 Screening compound: N'-(4-bromophenyl)-N-{2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl}ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3087
N'-(4-bromophenyl)-N-{2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl}ethanediamide

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

8004-3087

Molecular Formula

C21H22BrN5O5 (C21 H22 BrN5 O5)

Compound Name

N'-(4-bromophenyl)-N-{2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl}ethanediamide

IUPAC name

N'-(4-bromophenyl)-N-{2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl}ethanediamide

SMILES

[O-][N+](c1cccc(C(N2CCN(CCNC(C(Nc(cc3)ccc3Br)=O)=O)CC2)=O)c1)=O

InChI

InChI=1S/C21H22BrN5O5/c22-16-4-6-17(7-5-16)24-20(29)19(28)23-8-9-25-10-12-26(13-11-25)21(30)15-2-1-3-18(14-15)27(31)32/h1-7,14H,8-13H2,(H,23,28)(H,24,29)

InChI Key

IKYSQFWTWDLGIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

0.634

Water Solubility, LogSw

-2.47

Polar Surface Area

101.676

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8004-3087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3087?
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What is the minimum amount of 8004-3087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3087
  • 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 8004-3087 available by request