6723-0036 Screening compound: N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(morpholin-4-yl)-N4-phenyl-1,3,5-triazine-2,4-diamine

6723-0036 Screening compound: N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(morpholin-4-yl)-N4-phenyl-1,3,5-triazine-2,4-diamine
6723-0036 Screening compound: N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(morpholin-4-yl)-N4-phenyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6723-0036
N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(morpholin-4-yl)-N4-phenyl-1,3,5-triazine-2,4-diamine

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

6723-0036

Molecular Formula

C26H23N7O2 (C26 H23 N7 O2)

Compound Name

N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(morpholin-4-yl)-N4-phenyl-1,3,5-triazine-2,4-diamine

IUPAC name

N2-[4-(13-benzoxazol-2-yl)phenyl]-6-(morpholin-4-yl)-N4-phenyl-135-triazine-24-diamine

SMILES

C(COCC1)N1c1nc(Nc(cc2)ccc2-c2nc(cccc3)c3o2)nc(Nc2ccccc2)n1

InChI

InChI=1S/C26H23N7O2/c1-2-6-19(7-3-1)27-24-30-25(32-26(31-24)33-14-16-34-17-15-33)28-20-12-10-18(11-13-20)23-29-21-8-4-5-9-22(21)35-23/h1-13H,14-17H2,(H2,27,28,30,31,32)

InChI Key

TXPGYNZVDNLMKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.425

Distribution Coefficient, logD

6.422

Water Solubility, LogSw

-6.36

Polar Surface Area

77.296

Acid Dissociation Constant (pKa)

17.73

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

6723-0036 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6723-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6723-0036?
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What is the minimum amount of 6723-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6723-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6723-0036
  • 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 6723-0036 available by request