8016-7982 Screening compound: 4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

8016-7982 Screening compound: 4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
8016-7982 Screening compound: 4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7982
4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3,4-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

8016-7982

Molecular Formula

C19H17N7O (C19 H17 N7 O)

Compound Name

4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

IUPAC name

13-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246810-pentaen-11-amine

SMILES

COc(cc1)ccc1-c1n[nH]cc1C(NC(N)=N1)n2c1nc1c2cccc1

InChI

InChI=1S/C19H17N7O/c1-27-12-8-6-11(7-9-12)16-13(10-21-25-16)17-23-18(20)24-19-22-14-4-2-3-5-15(14)26(17)19/h2-10,17H,1H3,(H,21,25)(H3,20,22,23,24)/t17-/m0/s1

InChI Key

KMCLMNZOPNBQFB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05859280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.433

Distribution Coefficient, logD

1.722

Water Solubility, LogSw

-2.74

Polar Surface Area

88.032

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.53

8016-7982 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 8016-7982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7982?
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What is the minimum amount of 8016-7982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7982
  • 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 8016-7982 available by request