Y020-5876 Screening compound: 6-(chloromethyl)-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine

Y020-5876 Screening compound: 6-(chloromethyl)-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine
Y020-5876 Screening compound: 6-(chloromethyl)-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5876
6-(chloromethyl)-N2-(4-phenoxyphenyl)-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

Y020-5876

Molecular Formula

C16H14ClN5O (C16 H14 ClN5 O)

Compound Name

6-(chloromethyl)-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-(chloromethyl)-N2-(4-phenoxyphenyl)-135-triazine-24-diamine

SMILES

Nc1nc(CCl)nc(Nc(cc2)ccc2Oc2ccccc2)n1

InChI

InChI=1S/C16H14ClN5O/c17-10-14-20-15(18)22-16(21-14)19-11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-9H,10H2,(H3,18,19,20,21,22)

InChI Key

YOCTXPPPWGWGJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03941307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

4.124

Water Solubility, LogSw

-4.40

Polar Surface Area

68.356

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

Y020-5876 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-5876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5876?
Check Price and Availability of Y020-5876, 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 Y020-5876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5876
  • 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 Y020-5876 available by request