4092-0602 Screening compound: 9-ethyl-3-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}-9H-carbazole

4092-0602 Screening compound: 9-ethyl-3-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}-9H-carbazole
4092-0602 Screening compound: 9-ethyl-3-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}-9H-carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0602
9-ethyl-3-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}-9H-carbazole

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

4092-0602

Molecular Formula

C26H26N4O3 (C26 H26 N4 O3)

Compound Name

9-ethyl-3-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}-9H-carbazole

IUPAC name

9-ethyl-3-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}-9H-carbazole

SMILES

CCn1c(ccc(CN(CC2)CCN2C(c(cc2)ccc2[N+]([O-])=O)=O)c2)c2c2c1cccc2

InChI

InChI=1S/C26H26N4O3/c1-2-29-24-6-4-3-5-22(24)23-17-19(7-12-25(23)29)18-27-13-15-28(16-14-27)26(31)20-8-10-21(11-9-20)30(32)33/h3-12,17H,2,13-16,18H2,1H3

InChI Key

QVHAAVSXVQKDOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02214233

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.515

Water Solubility, LogSw

-4.21

Polar Surface Area

54.509

Acid Dissociation Constant (pKa)

28.23

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

4092-0602 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4092-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0602?
Check Price and Availability of 4092-0602, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4092-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0602
  • 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 4092-0602 available by request