8006-9081 Screening compound: 5-chloro-2-hydroxybenzaldehyde 1-[4-(4-fluoroanilino)-6-morpholino-1,3,5-triazin-2-yl]hydrazone

8006-9081 Screening compound: 5-chloro-2-hydroxybenzaldehyde 1-[4-(4-fluoroanilino)-6-morpholino-1,3,5-triazin-2-yl]hydrazone
8006-9081 Screening compound: 5-chloro-2-hydroxybenzaldehyde 1-[4-(4-fluoroanilino)-6-morpholino-1,3,5-triazin-2-yl]hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9081
5-chloro-2-hydroxybenzaldehyde 1-[4-(4-fluoroanilino)-6-morpholino-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

8006-9081

Molecular Formula

C20H19ClFN7O2 (C20 H19 ClFN7 O2)

Compound Name

5-chloro-2-hydroxybenzaldehyde 1-[4-(4-fluoroanilino)-6-morpholino-1,3,5-triazin-2-yl]hydrazone

IUPAC name

4-chloro-2-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(morpholin-4-yl)-135-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol

SMILES

Oc(cc1)c(/C=N/Nc2nc(N3CCOCC3)nc(Nc(cc3)ccc3F)n2)cc1Cl

InChI

InChI=1S/C20H19ClFN7O2/c21-14-1-6-17(30)13(11-14)12-23-28-19-25-18(24-16-4-2-15(22)3-5-16)26-20(27-19)29-7-9-31-10-8-29/h1-6,11-12,30H,7-10H2,(H2,24,25,26,27,28)

InChI Key

OWBDJKTXTCLPKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00324422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.592

Distribution Coefficient, logD

5.584

Water Solubility, LogSw

-5.75

Polar Surface Area

89.259

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8006-9081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9081?
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What is the minimum amount of 8006-9081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9081
  • 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 8006-9081 available by request