8018-4592 Screening compound: 4-(3,5-difluorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

8018-4592 Screening compound: 4-(3,5-difluorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
8018-4592 Screening compound: 4-(3,5-difluorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4592
4-(3,5-difluorophenyl)-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

8018-4592

Molecular Formula

C15H11F2N5 (C15 H11 F2 N5)

Compound Name

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

IUPAC name

13-(35-difluorophenyl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-246811-pentaen-11-amine

SMILES

NC(N1)=NC(c2cc(F)cc(F)c2)n2c1nc1c2cccc1

InChI

InChI=1S/C15H11F2N5/c16-9-5-8(6-10(17)7-9)13-20-14(18)21-15-19-11-3-1-2-4-12(11)22(13)15/h1-7,13H,(H3,18,19,20,21)/t13-/m1/s1

InChI Key

RODXGCXYVWBKOI-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.28

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

2.943

Distribution Coefficient, logD

1.408

Water Solubility, LogSw

-3.04

Polar Surface Area

56.299

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 8018-4592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4592?
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What is the minimum amount of 8018-4592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4592
  • 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 8018-4592 available by request