8008-2723 Screening compound: 4-({4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}oxy)-3-methoxybenzaldehyde

8008-2723 Screening compound: 4-({4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}oxy)-3-methoxybenzaldehyde
8008-2723 Screening compound: 4-({4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}oxy)-3-methoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2723
4-({4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}oxy)-3-methoxybenzaldehyde

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

8008-2723

Molecular Formula

C22H22BrN5O4 (C22 H22 BrN5 O4)

Compound Name

4-({4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}oxy)-3-methoxybenzaldehyde

IUPAC name

4-({4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-135-triazin-2-yl}oxy)-3-methoxybenzaldehyde

SMILES

Cc(cc1)cc(Br)c1Nc1nc(Oc(ccc(C=O)c2)c2OC)nc(N2CCOCC2)n1

InChI

InChI=1S/C22H22BrN5O4/c1-14-3-5-17(16(23)11-14)24-20-25-21(28-7-9-31-10-8-28)27-22(26-20)32-18-6-4-15(13-29)12-19(18)30-2/h3-6,11-13H,7-10H2,1-2H3,(H,24,25,26,27)

InChI Key

RAOOFRYBZJMKKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01160788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.192

Distribution Coefficient, logD

5.192

Water Solubility, LogSw

-5.10

Polar Surface Area

78.166

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8008-2723 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8008-2723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2723?
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What is the minimum amount of 8008-2723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2723
  • 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 8008-2723 available by request