8007-7169 Screening compound: 4-[(E)-(2-{4-[(3-chloro-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate

8007-7169 Screening compound: 4-[(E)-(2-{4-[(3-chloro-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
8007-7169 Screening compound: 4-[(E)-(2-{4-[(3-chloro-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7169
4-[(E)-(2-{4-[(3-chloro-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate

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

8007-7169

Molecular Formula

C29H25Cl2F2N7O4 (C29 H25 Cl2 F2 N7 O4)

Compound Name

4-[(E)-(2-{4-[(3-chloro-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate

IUPAC name

4-[(E)-(2-{4-[(3-chloro-4-methylphenyl)amino]-6-(morpholin-4-yl)-135-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-methoxyphenyl 2-chloro-45-difluorobenzoate

SMILES

Cc(ccc(Nc1nc(N/N=C/c(cc2)cc(OC)c2OC(c(cc(c(F)c2)F)c2Cl)=O)nc(N2CCOCC2)n1)c1)c1Cl

InChI

InChI=1S/C29H25Cl2F2N7O4/c1-16-3-5-18(12-20(16)30)35-27-36-28(38-29(37-27)40-7-9-43-10-8-40)39-34-15-17-4-6-24(25(11-17)42-2)44-26(41)19-13-22(32)23(33)14-21(19)31/h3-6,11-15H,7-10H2,1-2H3,(H2,35,36,37,38,39)

InChI Key

LPQLEFGUDLIGME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

644.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

8.589

Distribution Coefficient, logD

8.588

Water Solubility, LogSw

-6.63

Polar Surface Area

100.805

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with 8007-7169 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7169
  • 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 8007-7169 available by request