8010-8143 Screening compound: N-(4-{4-[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]tetrahydro-1-pyrazinyl}-6-chloro-1,3,5-triazin-2-yl)-N,N-diphenylamine

8010-8143 Screening compound: N-(4-{4-[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]tetrahydro-1-pyrazinyl}-6-chloro-1,3,5-triazin-2-yl)-N,N-diphenylamine
8010-8143 Screening compound: N-(4-{4-[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]tetrahydro-1-pyrazinyl}-6-chloro-1,3,5-triazin-2-yl)-N,N-diphenylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8143
N-(4-{4-[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]tetrahydro-1-pyrazinyl}-6-chloro-1,3,5-triazin-2-yl)-N,N-diphenylamine

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

8010-8143

Molecular Formula

C36H34ClN11O2 (C36 H34 ClN11 O2)

Compound Name

N-(4-{4-[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]tetrahydro-1-pyrazinyl}-6-chloro-1,3,5-triazin-2-yl)-N,N-diphenylamine

IUPAC name

6-{4-[4-chloro-6-(diphenylamino)-135-triazin-2-yl]piperazin-1-yl}-N2N4-bis(4-methoxyphenyl)-135-triazine-24-diamine

SMILES

COc(cc1)ccc1Nc1nc(N(CC2)CCN2c2nc(N(c3ccccc3)c3ccccc3)nc(Cl)n2)nc(Nc(cc2)ccc2OC)n1

InChI

InChI=1S/C36H34ClN11O2/c1-49-29-17-13-25(14-18-29)38-32-42-33(39-26-15-19-30(50-2)20-16-26)44-35(43-32)47-23-21-46(22-24-47)34-40-31(37)41-36(45-34)48(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-20H,21-24H2,1-2H3,(H2,38,39,42,43,44)

InChI Key

AHZAYUGRAKCTDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01903331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

688.19

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

9.707

Distribution Coefficient, logD

9.705

Water Solubility, LogSw

-6.66

Polar Surface Area

100.054

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8010-8143 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-8143 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8010-8143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8143
  • 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 8010-8143 available by request