8002-3634 Screening compound: 2-methoxy-5-[(E)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol

8002-3634 Screening compound: 2-methoxy-5-[(E)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol
8002-3634 Screening compound: 2-methoxy-5-[(E)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-3634
2-methoxy-5-[(E)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol

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

8002-3634

Molecular Formula

C21H22N8O5 (C21 H22 N8 O5)

Compound Name

2-methoxy-5-[(E)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol

IUPAC name

2-methoxy-5-[(E)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-135-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol

SMILES

COc(ccc(/C=N/Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N2CCOCC2)n1)c1)c1O

InChI

InChI=1S/C21H22N8O5/c1-33-18-7-2-14(12-17(18)30)13-22-27-20-24-19(23-15-3-5-16(6-4-15)29(31)32)25-21(26-20)28-8-10-34-11-9-28/h2-7,12-13,30H,8-11H2,1H3,(H2,23,24,25,26,27)

InChI Key

JCMRPITZVXJSRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00322055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.310

Distribution Coefficient, logD

4.307

Water Solubility, LogSw

-4.06

Polar Surface Area

130.271

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8002-3634 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 8002-3634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-3634?
Check Price and Availability of 8002-3634, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8002-3634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-3634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-3634
  • 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 8002-3634 available by request