5508-0003 Screening compound: 6-{[2-(4-bromophenoxy)ethyl]sulfanyl}-N2,N4-bis(propan-2-yl)-1,3,5-triazine-2,4-diamine

5508-0003 Screening compound: 6-{[2-(4-bromophenoxy)ethyl]sulfanyl}-N2,N4-bis(propan-2-yl)-1,3,5-triazine-2,4-diamine
5508-0003 Screening compound: 6-{[2-(4-bromophenoxy)ethyl]sulfanyl}-N2,N4-bis(propan-2-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5508-0003
6-{[2-(4-bromophenoxy)ethyl]sulfanyl}-N2,N4-bis(propan-2-yl)-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

5508-0003

Molecular Formula

C17H24BrN5OS (C17 H24 BrN5 OS)

Compound Name

6-{[2-(4-bromophenoxy)ethyl]sulfanyl}-N2,N4-bis(propan-2-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-{[2-(4-bromophenoxy)ethyl]sulfanyl}-N2N4-bis(propan-2-yl)-135-triazine-24-diamine

SMILES

CC(C)Nc1nc(SCCOc(cc2)ccc2Br)nc(NC(C)C)n1

InChI

InChI=1S/C17H24BrN5OS/c1-11(2)19-15-21-16(20-12(3)4)23-17(22-15)25-10-9-24-14-7-5-13(18)6-8-14/h5-8,11-12H,9-10H2,1-4H3,(H2,19,20,21,22,23)

InChI Key

HWSNGYXHBHWCIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03502228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.682

Distribution Coefficient, logD

5.682

Water Solubility, LogSw

-5.55

Polar Surface Area

57.202

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

5508-0003 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5508-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5508-0003?
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What is the minimum amount of 5508-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5508-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5508-0003
  • 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 5508-0003 available by request