1809-0091 Screening compound: 4-amino-N'-[(1E)-1-(4-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}phenyl)ethylidene]-1,2,5-oxadiazole-3-carbohydrazide

1809-0091 Screening compound: 4-amino-N'-[(1E)-1-(4-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}phenyl)ethylidene]-1,2,5-oxadiazole-3-carbohydrazide
1809-0091 Screening compound: 4-amino-N'-[(1E)-1-(4-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}phenyl)ethylidene]-1,2,5-oxadiazole-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1809-0091
4-amino-N'-[(1E)-1-(4-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}phenyl)ethylidene]-1,2,5-oxadiazole-3-carbohydrazide

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

1809-0091

Molecular Formula

C22H27N11O4 (C22 H27 N11 O4)

Compound Name

4-amino-N'-[(1E)-1-(4-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}phenyl)ethylidene]-1,2,5-oxadiazole-3-carbohydrazide

IUPAC name

4-amino-N'-[(1E)-1-(4-{[46-bis(morpholin-4-yl)-135-triazin-2-yl]amino}phenyl)ethylidene]-125-oxadiazole-3-carbohydrazide

SMILES

C/C(/c(cc1)ccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)=N\NC(c1nonc1N)=O

InChI

InChI=1S/C22H27N11O4/c1-14(28-29-19(34)17-18(23)31-37-30-17)15-2-4-16(5-3-15)24-20-25-21(32-6-10-35-11-7-32)27-22(26-20)33-8-12-36-13-9-33/h2-5H,6-13H2,1H3,(H2,23,31)(H,29,34)(H,24,25,26,27)

InChI Key

QQBYATYYLWAQJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01360078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.098

Water Solubility, LogSw

-3.31

Polar Surface Area

152.416

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

1809-0091 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 1809-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1809-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1809-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1809-0091
  • 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 1809-0091 available by request