1543-0099 Screening compound: 2-nitro-4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol

1543-0099 Screening compound: 2-nitro-4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol
1543-0099 Screening compound: 2-nitro-4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1543-0099
2-nitro-4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol

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

1543-0099

Molecular Formula

C21H22N8O3 (C21 H22 N8 O3)

Compound Name

2-nitro-4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol

IUPAC name

2-nitro-4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol

SMILES

[O-][N+](c(cc(/C=N/Nc1nc(N2CCCCC2)nc(Nc2ccccc2)n1)cc1)c1O)=O

InChI

InChI=1S/C21H22N8O3/c30-18-10-9-15(13-17(18)29(31)32)14-22-27-20-24-19(23-16-7-3-1-4-8-16)25-21(26-20)28-11-5-2-6-12-28/h1,3-4,7-10,13-14,30H,2,5-6,11-12H2,(H2,23,24,25,26,27)

InChI Key

JBPJDMJSHBJIKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00332224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.809

Distribution Coefficient, logD

5.189

Water Solubility, LogSw

-5.76

Polar Surface Area

114.431

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

1543-0099 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1543-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1543-0099?
Check Price and Availability of 1543-0099, 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 1543-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1543-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1543-0099
  • 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 1543-0099 available by request