8017-0353 Screening compound: 4-(5-bromo-2-thienyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

8017-0353 Screening compound: 4-(5-bromo-2-thienyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
8017-0353 Screening compound: 4-(5-bromo-2-thienyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0353
4-(5-bromo-2-thienyl)-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

8017-0353

Molecular Formula

C13H10BrN5S (C13 H10 BrN5 S)

Compound Name

4-(5-bromo-2-thienyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

IUPAC name

13-(5-bromothiophen-2-yl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246811-pentaen-11-amine

SMILES

NC(N1)=NC(c(s2)ccc2Br)n2c1nc1c2cccc1

InChI

InChI=1S/C13H10BrN5S/c14-10-6-5-9(20-10)11-17-12(15)18-13-16-7-3-1-2-4-8(7)19(11)13/h1-6,11H,(H3,15,16,17,18)/t11-/m1/s1

InChI Key

CQOKEKLHRACNDM-LLVKDONJSA-N

MDL Number (MFCD)

MFCD06013579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.23

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

1.588

Water Solubility, LogSw

-3.61

Polar Surface Area

57.317

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

9.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.70

8017-0353 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0353?
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What is the minimum amount of 8017-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0353
  • 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 8017-0353 available by request