0851-0554 Screening compound: 4-[(E)-{2-[4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-chlorobenzoate

0851-0554 Screening compound: 4-[(E)-{2-[4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-chlorobenzoate
0851-0554 Screening compound: 4-[(E)-{2-[4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0851-0554
4-[(E)-{2-[4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 4-chlorobenzoate

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

0851-0554

Molecular Formula

C25H26ClN7O3 (C25 H26 ClN7 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1Cl)Oc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCCC3)n2)cc1

InChI

InChI=1S/C25H26ClN7O3/c26-20-7-5-19(6-8-20)22(34)36-21-9-3-18(4-10-21)17-27-31-23-28-24(32-11-1-2-12-32)30-25(29-23)33-13-15-35-16-14-33/h3-10,17H,1-2,11-16H2,(H,28,29,30,31)

InChI Key

BFWBSISRGCBTDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00644748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.942

Distribution Coefficient, logD

5.918

Water Solubility, LogSw

-6.51

Polar Surface Area

85.787

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 0851-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0851-0554?
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What is the minimum amount of 0851-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0851-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0851-0554
  • 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 0851-0554 available by request