8012-4947 Screening compound: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N2,N2-dimethyl-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine

8012-4947 Screening compound: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N2,N2-dimethyl-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
8012-4947 Screening compound: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N2,N2-dimethyl-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4947
6-[4-(3-chlorophenyl)piperazin-1-yl]-N2,N2-dimethyl-N4-[4-(trifluoromethoxy)phenyl]-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

8012-4947

Molecular Formula

C22H23ClF3N7O (C22 H23 ClF3 N7 O)

Compound Name

6-[4-(3-chlorophenyl)piperazin-1-yl]-N2,N2-dimethyl-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine

IUPAC name

6-[4-(3-chlorophenyl)piperazin-1-yl]-N2N2-dimethyl-N4-[4-(trifluoromethoxy)phenyl]-135-triazine-24-diamine

SMILES

CN(C)c1nc(Nc(cc2)ccc2OC(F)(F)F)nc(N(CC2)CCN2c2cccc(Cl)c2)n1

InChI

InChI=1S/C22H23ClF3N7O/c1-31(2)20-28-19(27-16-6-8-18(9-7-16)34-22(24,25)26)29-21(30-20)33-12-10-32(11-13-33)17-5-3-4-15(23)14-17/h3-9,14H,10-13H2,1-2H3,(H,27,28,29,30)

InChI Key

OUXUHWXAZADMNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.264

Distribution Coefficient, logD

7.259

Water Solubility, LogSw

-6.58

Polar Surface Area

53.460

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8012-4947 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-4947 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8012-4947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4947
  • 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 8012-4947 available by request