3229-0928 Screening compound: 2-methoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-fluorobenzoate

3229-0928 Screening compound: 2-methoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-fluorobenzoate
3229-0928 Screening compound: 2-methoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0928
2-methoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-fluorobenzoate

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

3229-0928

Molecular Formula

C28H26FN7O4 (C28 H26 FN7 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=N/Nc1nc(N2CCOCC2)nc(Nc2ccccc2)n1)cc1)c1OC(c(cc1)ccc1F)=O

InChI

InChI=1S/C28H26FN7O4/c1-38-24-17-19(7-12-23(24)40-25(37)20-8-10-21(29)11-9-20)18-30-35-27-32-26(31-22-5-3-2-4-6-22)33-28(34-27)36-13-15-39-16-14-36/h2-12,17-18H,13-16H2,1H3,(H2,31,32,33,34,35)

InChI Key

QWUCVRMKTZGTQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.56

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

5.939

Distribution Coefficient, logD

5.938

Water Solubility, LogSw

-5.68

Polar Surface Area

100.805

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

3229-0928 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3229-0928 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3229-0928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0928
  • 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 3229-0928 available by request