5750-2683 Screening compound: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N2-(3-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine

5750-2683 Screening compound: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N2-(3-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
5750-2683 Screening compound: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N2-(3-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-2683
6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N2-(3-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine

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

5750-2683

Molecular Formula

C18H15ClN6S2 (C18 H15 ClN6 S2)

Compound Name

6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N2-(3-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(13-benzothiazol-2-ylsulfanyl)methyl]-N2-(3-chloro-2-methylphenyl)-135-triazine-24-diamine

SMILES

Cc(c(Nc1nc(N)nc(CSc2nc(cccc3)c3s2)n1)ccc1)c1Cl

InChI

InChI=1S/C18H15ClN6S2/c1-10-11(19)5-4-7-12(10)21-17-24-15(23-16(20)25-17)9-26-18-22-13-6-2-3-8-14(13)27-18/h2-8H,9H2,1H3,(H3,20,21,23,24,25)

InChI Key

UCVUJYQEJMQJJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03304596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.847

Distribution Coefficient, logD

5.846

Water Solubility, LogSw

-6.06

Polar Surface Area

69.720

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5750-2683 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5750-2683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-2683?
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What is the minimum amount of 5750-2683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-2683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-2683
  • 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 5750-2683 available by request