7850-0025 Screening compound: 4-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

7850-0025 Screening compound: 4-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
7850-0025 Screening compound: 4-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7850-0025
4-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

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

7850-0025

Molecular Formula

C23H20BrN5O2 (C23 H20 BrN5 O2)

Compound Name

4-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

IUPAC name

13-{4-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246811-pentaen-11-amine

SMILES

COc(cc(C1N=C(N)Nc2nc(cccc3)c3n12)cc1)c1OCc(cc1)ccc1Br

InChI

InChI=1S/C23H20BrN5O2/c1-30-20-12-15(8-11-19(20)31-13-14-6-9-16(24)10-7-14)21-27-22(25)28-23-26-17-4-2-3-5-18(17)29(21)23/h2-12,21H,13H2,1H3,(H3,25,26,27,28)/t21-/m1/s1

InChI Key

UHZPJDUYGINEOT-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06197428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.755

Distribution Coefficient, logD

2.724

Water Solubility, LogSw

-4.89

Polar Surface Area

71.243

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

7850-0025 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 7850-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7850-0025?
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What is the minimum amount of 7850-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7850-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7850-0025
  • 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 7850-0025 available by request