8018-6844 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2,4,6-trinitrobenzamide

8018-6844 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2,4,6-trinitrobenzamide
8018-6844 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2,4,6-trinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6844
N~1~-(3-chloro-4-fluorophenyl)-2,4,6-trinitrobenzamide

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

8018-6844

Molecular Formula

C13H6ClFN4O7 (C13 H6 ClFN4 O7)

Compound Name

N~1~-(3-chloro-4-fluorophenyl)-2,4,6-trinitrobenzamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-246-trinitrobenzamide

SMILES

[O-][N+](c1cc([N+]([O-])=O)c(C(Nc(cc2)cc(Cl)c2F)=O)c([N+]([O-])=O)c1)=O

InChI

InChI=1S/C13H6ClFN4O7/c14-8-3-6(1-2-9(8)15)16-13(20)12-10(18(23)24)4-7(17(21)22)5-11(12)19(25)26/h1-5H,(H,16,20)

InChI Key

OYFJBEPAJLXDIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.66

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

-1.468

Water Solubility, LogSw

-4.55

Polar Surface Area

122.872

Acid Dissociation Constant (pKa)

2.46

Base Dissociation Constant (pKb)

-6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8018-6844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6844?
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What is the minimum amount of 8018-6844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6844
  • 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 8018-6844 available by request