8002-9461 Screening compound: 4-[(2E)-2-[(3-bromophenyl)methylidene]hydrazin-1-yl]-N-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

8002-9461 Screening compound: 4-[(2E)-2-[(3-bromophenyl)methylidene]hydrazin-1-yl]-N-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
8002-9461 Screening compound: 4-[(2E)-2-[(3-bromophenyl)methylidene]hydrazin-1-yl]-N-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9461
4-[(2E)-2-[(3-bromophenyl)methylidene]hydrazin-1-yl]-N-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

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

8002-9461

Molecular Formula

C20H19BrN8O2 (C20 H19 BrN8 O2)

Compound Name

4-[(2E)-2-[(3-bromophenyl)methylidene]hydrazin-1-yl]-N-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

IUPAC name

4-[(2E)-2-[(3-bromophenyl)methylidene]hydrazin-1-yl]-N-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-135-triazin-2-amine

SMILES

[O-][N+](c(cc1)ccc1Nc1nc(N/N=C/c2cccc(Br)c2)nc(N2CCCC2)n1)=O

InChI

InChI=1S/C20H19BrN8O2/c21-15-5-3-4-14(12-15)13-22-27-19-24-18(25-20(26-19)28-10-1-2-11-28)23-16-6-8-17(9-7-16)29(30)31/h3-9,12-13H,1-2,10-11H2,(H2,23,24,25,26,27)

InChI Key

VXHCQAKYROUIAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00333142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.575

Distribution Coefficient, logD

6.574

Water Solubility, LogSw

-6.21

Polar Surface Area

98.549

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8002-9461 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8002-9461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9461?
Check Price and Availability of 8002-9461, 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 8002-9461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9461
  • 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 8002-9461 available by request