1071-0014 Screening compound: 2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-6-bromo-4-nitrophenol

1071-0014 Screening compound: 2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-6-bromo-4-nitrophenol
1071-0014 Screening compound: 2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-6-bromo-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1071-0014
2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-6-bromo-4-nitrophenol

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

1071-0014

Molecular Formula

C22H17BrN8O3 (C22 H17 BrN8 O3)

Compound Name

2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-6-bromo-4-nitrophenol

IUPAC name

2-[(E)-{2-[46-bis(phenylamino)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-6-bromo-4-nitrophenol

SMILES

[O-][N+](c(cc1/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc(Br)c1O)=O

InChI

InChI=1S/C22H17BrN8O3/c23-18-12-17(31(33)34)11-14(19(18)32)13-24-30-22-28-20(25-15-7-3-1-4-8-15)27-21(29-22)26-16-9-5-2-6-10-16/h1-13,32H,(H3,25,26,27,28,29,30)

InChI Key

GUHAHPLRZBASQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00615662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.917

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-6.07

Polar Surface Area

121.330

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1071-0014 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 1071-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1071-0014?
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What is the minimum amount of 1071-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1071-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1071-0014
  • 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 1071-0014 available by request