1588-0022 Screening compound: 4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl furan-2-carboxylate

1588-0022 Screening compound: 4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl furan-2-carboxylate
1588-0022 Screening compound: 4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1588-0022
4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl furan-2-carboxylate

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

1588-0022

Molecular Formula

C29H25N7O4 (C29 H25 N7 O4)

Compound Name

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

IUPAC name

4-[(E)-{2-[46-bis(phenylamino)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl furan-2-carboxylate

SMILES

CCOc(cc(/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C29H25N7O4/c1-2-38-25-18-20(15-16-23(25)40-26(37)24-14-9-17-39-24)19-30-36-29-34-27(31-21-10-5-3-6-11-21)33-28(35-29)32-22-12-7-4-8-13-22/h3-19H,2H2,1H3,(H3,31,32,33,34,35,36)

InChI Key

YXXVOWNHVBTUBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01026951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.541

Distribution Coefficient, logD

6.540

Water Solubility, LogSw

-5.71

Polar Surface Area

108.722

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

1588-0022 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 1588-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1588-0022?
Check Price and Availability of 1588-0022, 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 1588-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1588-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1588-0022
  • 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 1588-0022 available by request