8005-1217 Screening compound: 4-{5-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]furan-2-yl}benzoic acid

8005-1217 Screening compound: 4-{5-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]furan-2-yl}benzoic acid
8005-1217 Screening compound: 4-{5-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]furan-2-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-1217
4-{5-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]furan-2-yl}benzoic acid

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

8005-1217

Molecular Formula

C28H23N7O4 (C28 H23 N7 O4)

Compound Name

4-{5-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]furan-2-yl}benzoic acid

IUPAC name

4-{5-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-(phenylamino)-135-triazin-2-yl}hydrazin-1-ylidene)methyl]furan-2-yl}benzoic acid

SMILES

COc(cc1)ccc1Nc1nc(Nc2ccccc2)nc(N/N=C/c2ccc(-c(cc3)ccc3C(O)=O)o2)n1

InChI

InChI=1S/C28H23N7O4/c1-38-22-13-11-21(12-14-22)31-27-32-26(30-20-5-3-2-4-6-20)33-28(34-27)35-29-17-23-15-16-24(39-23)18-7-9-19(10-8-18)25(36)37/h2-17H,1H3,(H,36,37)(H3,30,31,32,33,34,35)

InChI Key

PQBBXFKINPIYKQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

7.603

Distribution Coefficient, logD

3.875

Water Solubility, LogSw

-5.79

Polar Surface Area

115.991

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

References: we are preparing a list of scientific research reports with 8005-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-1217?
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What is the minimum amount of 8005-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-1217
  • 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 8005-1217 available by request