8008-4570 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methoxyphenyl)amino]-3,5-dinitrobenzamide

8008-4570 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methoxyphenyl)amino]-3,5-dinitrobenzamide
8008-4570 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methoxyphenyl)amino]-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4570
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methoxyphenyl)amino]-3,5-dinitrobenzamide

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

8008-4570

Molecular Formula

C22H19ClN4O8 (C22 H19 ClN4 O8)

Compound Name

N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methoxyphenyl)amino]-3,5-dinitrobenzamide

IUPAC name

N-(4-chloro-25-dimethoxyphenyl)-2-[(3-methoxyphenyl)amino]-35-dinitrobenzamide

SMILES

COc1cccc(Nc(c([N+]([O-])=O)cc([N+]([O-])=O)c2)c2C(Nc(c(OC)c2)cc(OC)c2Cl)=O)c1

InChI

InChI=1S/C22H19ClN4O8/c1-33-14-6-4-5-12(7-14)24-21-15(8-13(26(29)30)9-18(21)27(31)32)22(28)25-17-11-19(34-2)16(23)10-20(17)35-3/h4-11,24H,1-3H3,(H,25,28)

InChI Key

HJFXCSARUAUHCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.87

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.596

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-4.81

Polar Surface Area

119.415

Acid Dissociation Constant (pKa)

5.99

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 8008-4570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4570?
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What is the minimum amount of 8008-4570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4570
  • 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 8008-4570 available by request