8001-7371 Screening compound: 3-hydroxy-4-methoxybenzaldehyde 1-[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazone

8001-7371 Screening compound: 3-hydroxy-4-methoxybenzaldehyde 1-[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazone
8001-7371 Screening compound: 3-hydroxy-4-methoxybenzaldehyde 1-[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-7371
3-hydroxy-4-methoxybenzaldehyde 1-[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazone

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

8001-7371

Molecular Formula

C23H20N8O4 (C23 H20 N8 O4)

Compound Name

3-hydroxy-4-methoxybenzaldehyde 1-[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazone

IUPAC name

n/a

SMILES

COc(ccc(/C=N\Nc1nc(Nc2ccccc2)nc(Nc(cc2)ccc2[N+]([O-])=O)n1)c1)c1O

InChI

InChI=1S/C23H20N8O4/c1-35-20-12-7-15(13-19(20)32)14-24-30-23-28-21(25-16-5-3-2-4-6-16)27-22(29-23)26-17-8-10-18(11-9-17)31(33)34/h2-14,32H,1H3,(H3,25,26,27,28,29,30)

InChI Key

QKKPHHPWCDCMJN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.673

Distribution Coefficient, logD

5.670

Water Solubility, LogSw

-5.46

Polar Surface Area

130.029

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

8001-7371 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8001-7371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-7371?
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What is the minimum amount of 8001-7371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-7371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-7371
  • 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 8001-7371 available by request