8012-9375 Screening compound: N2,N2-dibutyl-N4-[4-(chlorodifluoromethoxy)phenyl]-6-(piperidin-1-yl)-1,3,5-triazine-2,4-diamine

8012-9375 Screening compound: N2,N2-dibutyl-N4-[4-(chlorodifluoromethoxy)phenyl]-6-(piperidin-1-yl)-1,3,5-triazine-2,4-diamine
8012-9375 Screening compound: N2,N2-dibutyl-N4-[4-(chlorodifluoromethoxy)phenyl]-6-(piperidin-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9375
N2,N2-dibutyl-N4-[4-(chlorodifluoromethoxy)phenyl]-6-(piperidin-1-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

8012-9375

Molecular Formula

C23H33ClF2N6O (C23 H33 ClF2 N6 O)

Compound Name

N2,N2-dibutyl-N4-[4-(chlorodifluoromethoxy)phenyl]-6-(piperidin-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2N2-dibutyl-N4-[4-(chlorodifluoromethoxy)phenyl]-6-(piperidin-1-yl)-135-triazine-24-diamine

SMILES

CCCCN(CCCC)c1nc(Nc(cc2)ccc2OC(F)(F)Cl)nc(N2CCCCC2)n1

InChI

InChI=1S/C23H33ClF2N6O/c1-3-5-14-31(15-6-4-2)21-28-20(29-22(30-21)32-16-8-7-9-17-32)27-18-10-12-19(13-11-18)33-23(24,25)26/h10-13H,3-9,14-17H2,1-2H3,(H,27,28,29,30)

InChI Key

BRDCDTOFXJGYIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.771

Distribution Coefficient, logD

8.771

Water Solubility, LogSw

-6.65

Polar Surface Area

51.199

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

References: we are preparing a list of scientific research reports with 8012-9375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9375?
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What is the minimum amount of 8012-9375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9375
  • 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 8012-9375 available by request