8012-7937 Screening compound: N-[4-[4-(1-adamantyl)piperazino]-6-(4-methylpiperazino)-1,3,5-triazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]amine

8012-7937 Screening compound: N-[4-[4-(1-adamantyl)piperazino]-6-(4-methylpiperazino)-1,3,5-triazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]amine
8012-7937 Screening compound: N-[4-[4-(1-adamantyl)piperazino]-6-(4-methylpiperazino)-1,3,5-triazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7937
N-[4-[4-(1-adamantyl)piperazino]-6-(4-methylpiperazino)-1,3,5-triazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]amine

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

8012-7937

Molecular Formula

C29H39F3N8O (C29 H39 F3 N8 O)

Compound Name

N-[4-[4-(1-adamantyl)piperazino]-6-(4-methylpiperazino)-1,3,5-triazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]amine

IUPAC name

4-[4-(adamantan-1-yl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-135-triazin-2-amine

SMILES

CN(CC1)CCN1c1nc(Nc(cc2)ccc2OC(F)(F)F)nc(N(CC2)CCN2C2(CC(C3)C4)CC4CC3C2)n1

InChI

InChI=1S/C29H39F3N8O/c1-37-6-8-38(9-7-37)26-34-25(33-23-2-4-24(5-3-23)41-29(30,31)32)35-27(36-26)39-10-12-40(13-11-39)28-17-20-14-21(18-28)16-22(15-20)19-28/h2-5,20-22H,6-19H2,1H3,(H,33,34,35,36)

InChI Key

ZZHGMRURFFHYLR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.843

Distribution Coefficient, logD

7.271

Water Solubility, LogSw

-5.97

Polar Surface Area

57.276

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.97

8012-7937 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-7937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7937?
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What is the minimum amount of 8012-7937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7937
  • 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 8012-7937 available by request