8008-1276 Screening compound: N,N-diethyl-2-[(2E)-2-{[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-5-nitrobenzene-1-sulfonamide

8008-1276 Screening compound: N,N-diethyl-2-[(2E)-2-{[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-5-nitrobenzene-1-sulfonamide
8008-1276 Screening compound: N,N-diethyl-2-[(2E)-2-{[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-5-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1276
N,N-diethyl-2-[(2E)-2-{[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-5-nitrobenzene-1-sulfonamide

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

8008-1276

Molecular Formula

C21H26N6O7S (C21 H26 N6 O7 S)

Compound Name

N,N-diethyl-2-[(2E)-2-{[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-5-nitrobenzene-1-sulfonamide

IUPAC name

NN-diethyl-2-[(2E)-2-{[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-5-nitrobenzene-1-sulfonamide

SMILES

CCN(CC)S(c(cc(cc1)[N+]([O-])=O)c1N/N=C/c(cc1)cc([N+]([O-])=O)c1N1CCOCC1)(=O)=O

InChI

InChI=1S/C21H26N6O7S/c1-3-25(4-2)35(32,33)21-14-17(26(28)29)6-7-18(21)23-22-15-16-5-8-19(20(13-16)27(30)31)24-9-11-34-12-10-24/h5-8,13-15,23H,3-4,9-12H2,1-2H3

InChI Key

AFTIUFQSSGXXIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.54

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.78

Polar Surface Area

129.296

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 8008-1276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1276?
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What is the minimum amount of 8008-1276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1276
  • 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 8008-1276 available by request