4582-0160 Screening compound: 6-(azepan-1-yl)-N2,N4-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine

4582-0160 Screening compound: 6-(azepan-1-yl)-N2,N4-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
4582-0160 Screening compound: 6-(azepan-1-yl)-N2,N4-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0160
6-(azepan-1-yl)-N2,N4-bis(4-fluorophenyl)-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

4582-0160

Molecular Formula

C21H22F2N6 (C21 H22 F2 N6)

Compound Name

6-(azepan-1-yl)-N2,N4-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-(azepan-1-yl)-N2N4-bis(4-fluorophenyl)-135-triazine-24-diamine

SMILES

Fc(cc1)ccc1Nc1nc(Nc(cc2)ccc2F)nc(N2CCCCCC2)n1

InChI

InChI=1S/C21H22F2N6/c22-15-5-9-17(10-6-15)24-19-26-20(25-18-11-7-16(23)8-12-18)28-21(27-19)29-13-3-1-2-4-14-29/h5-12H,1-4,13-14H2,(H2,24,25,26,27,28)

InChI Key

XAURXYOCPCAIRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03007529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.789

Distribution Coefficient, logD

6.789

Water Solubility, LogSw

-6.29

Polar Surface Area

52.908

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4582-0160 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4582-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0160?
Check Price and Availability of 4582-0160, 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 4582-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0160
  • 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 4582-0160 available by request