0806-0352 Screening compound: 4-[(E)-{2-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methylbenzoate

0806-0352 Screening compound: 4-[(E)-{2-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methylbenzoate
0806-0352 Screening compound: 4-[(E)-{2-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0806-0352
4-[(E)-{2-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methylbenzoate

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

0806-0352

Molecular Formula

C26H29N7O4 (C26 H29 N7 O4)

Compound Name

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

IUPAC name

4-[(E)-{2-[46-bis(morpholin-4-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methylbenzoate

SMILES

Cc1cccc(C(Oc2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)=O)c1

InChI

InChI=1S/C26H29N7O4/c1-19-3-2-4-21(17-19)23(34)37-22-7-5-20(6-8-22)18-27-31-24-28-25(32-9-13-35-14-10-32)30-26(29-24)33-11-15-36-16-12-33/h2-8,17-18H,9-16H2,1H3,(H,28,29,30,31)

InChI Key

UJUTZBMMDXQTEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01102411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.748

Water Solubility, LogSw

-4.64

Polar Surface Area

93.330

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

0806-0352 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0806-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0806-0352?
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What is the minimum amount of 0806-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0806-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0806-0352
  • 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 0806-0352 available by request