7399-0314 Screening compound: N-(5-cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)-1,3-benzothiazol-2-amine

7399-0314 Screening compound: N-(5-cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)-1,3-benzothiazol-2-amine
7399-0314 Screening compound: N-(5-cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)-1,3-benzothiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7399-0314
N-(5-cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)-1,3-benzothiazol-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

7399-0314

Molecular Formula

C17H23N5S (C17 H23 N5 S)

Compound Name

N-(5-cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)-1,3-benzothiazol-2-amine

IUPAC name

N-(5-cycloheptyl-1456-tetrahydro-135-triazin-2-yl)-13-benzothiazol-2-amine

SMILES

C(NC(Nc1nc(cccc2)c2s1)=NC1)N1C1CCCCCC1

InChI

InChI=1S/C17H23N5S/c1-2-4-8-13(7-3-1)22-11-18-16(19-12-22)21-17-20-14-9-5-6-10-15(14)23-17/h5-6,9-10,13H,1-4,7-8,11-12H2,(H2,18,19,20,21)

InChI Key

NAKPTCJEUFGRFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

0.587

Water Solubility, LogSw

-4.76

Polar Surface Area

42.690

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

11.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

7399-0314 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7399-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7399-0314?
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What is the minimum amount of 7399-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7399-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7399-0314
  • 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 7399-0314 available by request