8001-9688 Screening compound: N2-(2-methylphenyl)-N4-(4-nitrophenyl)-6-[(2E)-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-1,3,5-triazine-2,4-diamine

8001-9688 Screening compound: N2-(2-methylphenyl)-N4-(4-nitrophenyl)-6-[(2E)-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-1,3,5-triazine-2,4-diamine
8001-9688 Screening compound: N2-(2-methylphenyl)-N4-(4-nitrophenyl)-6-[(2E)-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-9688
N2-(2-methylphenyl)-N4-(4-nitrophenyl)-6-[(2E)-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-1,3,5-triazine-2,4-diamine

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

8001-9688

Molecular Formula

C27H21N9O5 (C27 H21 N9 O5)

Compound Name

N2-(2-methylphenyl)-N4-(4-nitrophenyl)-6-[(2E)-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(2-methylphenyl)-N4-(4-nitrophenyl)-6-[(2E)-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-135-triazine-24-diamine

SMILES

Cc(cccc1)c1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C/c2ccc(-c(cc3)ccc3[N+]([O-])=O)o2)n1

InChI

InChI=1S/C27H21N9O5/c1-17-4-2-3-5-23(17)30-26-31-25(29-19-8-12-21(13-9-19)36(39)40)32-27(33-26)34-28-16-22-14-15-24(41-22)18-6-10-20(11-7-18)35(37)38/h2-16H,1H3,(H3,29,30,31,32,33,34)

InChI Key

LQHLLNUKUYYJIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00737679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

7.840

Distribution Coefficient, logD

7.839

Water Solubility, LogSw

-6.01

Polar Surface Area

146.104

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

References: we are preparing a list of scientific research reports with 8001-9688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-9688?
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What is the minimum amount of 8001-9688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-9688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-9688
  • 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 8001-9688 available by request