1071-0018 Screening compound: 6-[(2E)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine

1071-0018 Screening compound: 6-[(2E)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
1071-0018 Screening compound: 6-[(2E)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1071-0018
6-[(2E)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2,N4-diphenyl-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

1071-0018

Molecular Formula

C26H20N8O3 (C26 H20 N8 O3)

Compound Name

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

IUPAC name

6-[(2E)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2N4-diphenyl-135-triazine-24-diamine

SMILES

[O-][N+](c1cc(-c2ccc(/C=N/Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)ccc1)=O

InChI

InChI=1S/C26H20N8O3/c35-34(36)21-13-7-8-18(16-21)23-15-14-22(37-23)17-27-33-26-31-24(28-19-9-3-1-4-10-19)30-25(32-26)29-20-11-5-2-6-12-20/h1-17H,(H3,28,29,30,31,32,33)

InChI Key

DDSFWWZEZGRNFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00615666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

7.431

Distribution Coefficient, logD

7.431

Water Solubility, LogSw

-6.39

Polar Surface Area

113.421

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1071-0018 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1071-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1071-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1071-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1071-0018
  • 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 1071-0018 available by request