8017-5878 Screening compound: 2-{[4-amino-6-(diphenylamino)-1,3,5-triazin-2-yl]thio}ethanol

8017-5878 Screening compound: 2-{[4-amino-6-(diphenylamino)-1,3,5-triazin-2-yl]thio}ethanol
8017-5878 Screening compound: 2-{[4-amino-6-(diphenylamino)-1,3,5-triazin-2-yl]thio}ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5878
2-{[4-amino-6-(diphenylamino)-1,3,5-triazin-2-yl]thio}ethanol

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

8017-5878

Molecular Formula

C17H17N5OS (C17 H17 N5 OS)

Compound Name

2-{[4-amino-6-(diphenylamino)-1,3,5-triazin-2-yl]thio}ethanol

IUPAC name

2-{[4-amino-6-(diphenylamino)-135-triazin-2-yl]sulfanyl}ethan-1-ol

SMILES

Nc1nc(SCCO)nc(N(c2ccccc2)c2ccccc2)n1

InChI

InChI=1S/C17H17N5OS/c18-15-19-16(21-17(20-15)24-12-11-23)22(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,23H,11-12H2,(H2,18,19,20,21)

InChI Key

PFVCCUXXPLEKEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06616736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-2.95

Polar Surface Area

66.550

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

8017-5878 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-5878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5878?
Check Price and Availability of 8017-5878, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8017-5878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5878
  • 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 8017-5878 available by request