3229-0883 Screening compound: 2-methoxy-4-[(E)-{2-[4-(phenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl furan-2-carboxylate

3229-0883 Screening compound: 2-methoxy-4-[(E)-{2-[4-(phenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl furan-2-carboxylate
3229-0883 Screening compound: 2-methoxy-4-[(E)-{2-[4-(phenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0883
2-methoxy-4-[(E)-{2-[4-(phenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 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

3229-0883

Molecular Formula

C26H25N7O4 (C26 H25 N7 O4)

Compound Name

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

IUPAC name

2-methoxy-4-[(E)-{2-[4-(phenylamino)-6-(pyrrolidin-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl furan-2-carboxylate

SMILES

COc(cc(/C=N/Nc1nc(N2CCCC2)nc(Nc2ccccc2)n1)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C26H25N7O4/c1-35-22-16-18(11-12-20(22)37-23(34)21-10-7-15-36-21)17-27-32-25-29-24(28-19-8-3-2-4-9-19)30-26(31-25)33-13-5-6-14-33/h2-4,7-12,15-17H,5-6,13-14H2,1H3,(H2,28,29,30,31,32)

InChI Key

OIFSWFTTWKBIJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.859

Distribution Coefficient, logD

5.858

Water Solubility, LogSw

-5.59

Polar Surface Area

101.841

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 3229-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0883?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0883
  • 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 3229-0883 available by request