1995-0017 Screening compound: 2-bromo-6-[(Z)-(2-{4-[(4-methoxyphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4-nitrophenol

1995-0017 Screening compound: 2-bromo-6-[(Z)-(2-{4-[(4-methoxyphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4-nitrophenol
1995-0017 Screening compound: 2-bromo-6-[(Z)-(2-{4-[(4-methoxyphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1995-0017
2-bromo-6-[(Z)-(2-{4-[(4-methoxyphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-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

1995-0017

Molecular Formula

C21H21BrN8O5 (C21 H21 BrN8 O5)

Compound Name

2-bromo-6-[(Z)-(2-{4-[(4-methoxyphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4-nitrophenol

IUPAC name

2-bromo-6-[(Z)-(2-{4-[(4-methoxyphenyl)amino]-6-(morpholin-4-yl)-135-triazin-2-yl}hydrazin-1-ylidene)methyl]-4-nitrophenol

SMILES

COc(cc1)ccc1Nc1nc(N/N=C\c2cc([N+]([O-])=O)cc(Br)c2O)nc(N2CCOCC2)n1

InChI

InChI=1S/C21H21BrN8O5/c1-34-16-4-2-14(3-5-16)24-19-25-20(27-21(26-19)29-6-8-35-9-7-29)28-23-12-13-10-15(30(32)33)11-17(22)18(13)31/h2-5,10-12,31H,6-9H2,1H3,(H2,24,25,26,27,28)

InChI Key

PZRXBUDWGOSHKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-5.37

Polar Surface Area

129.115

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 1995-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1995-0017?
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What is the minimum amount of 1995-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1995-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1995-0017
  • 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 1995-0017 available by request