C102-0038 Screening compound: 6-[(4-methoxyphenyl)methyl]-3-({4-[4-({6-[(4-methoxyphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}amino)phenoxy]phenyl}amino)-4,5-dihydro-1,2,4-triazin-5-one

C102-0038 Screening compound: 6-[(4-methoxyphenyl)methyl]-3-({4-[4-({6-[(4-methoxyphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}amino)phenoxy]phenyl}amino)-4,5-dihydro-1,2,4-triazin-5-one
C102-0038 Screening compound: 6-[(4-methoxyphenyl)methyl]-3-({4-[4-({6-[(4-methoxyphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}amino)phenoxy]phenyl}amino)-4,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C102-0038
6-[(4-methoxyphenyl)methyl]-3-({4-[4-({6-[(4-methoxyphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}amino)phenoxy]phenyl}amino)-4,5-dihydro-1,2,4-triazin-5-one

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

C102-0038

Molecular Formula

C34H30N8O5 (C34 H30 N8 O5)

Compound Name

6-[(4-methoxyphenyl)methyl]-3-({4-[4-({6-[(4-methoxyphenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}amino)phenoxy]phenyl}amino)-4,5-dihydro-1,2,4-triazin-5-one

IUPAC name

6-[(4-methoxyphenyl)methyl]-3-({4-[4-({6-[(4-methoxyphenyl)methyl]-5-oxo-45-dihydro-124-triazin-3-yl}amino)phenoxy]phenyl}amino)-45-dihydro-124-triazin-5-one

SMILES

COc1ccc(CC2=NN=C(Nc(cc3)ccc3Oc(cc3)ccc3NC(N3)=NN=C(Cc(cc4)ccc4OC)C3=O)NC2=O)cc1

InChI

InChI=1S/C34H30N8O5/c1-45-25-11-3-21(4-12-25)19-29-31(43)37-33(41-39-29)35-23-7-15-27(16-8-23)47-28-17-9-24(10-18-28)36-34-38-32(44)30(40-42-34)20-22-5-13-26(46-2)14-6-22/h3-18H,19-20H2,1-2H3,(H2,35,37,41,43)(H2,36,38,42,44)

InChI Key

NCIMPPGSHXFLEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03492493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

630.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

6.030

Distribution Coefficient, logD

6.030

Water Solubility, LogSw

-5.56

Polar Surface Area

131.109

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C102-0038 in Drug Discovery

Included in Screening Libraries

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

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C102-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C102-0038?
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What is the minimum amount of C102-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C102-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C102-0038
  • 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 C102-0038 available by request