8011-5380 Screening compound: N1-(2-chloro-4-nitrophenyl)-N6-[2,6-dinitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine

8011-5380 Screening compound: N1-(2-chloro-4-nitrophenyl)-N6-[2,6-dinitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine
8011-5380 Screening compound: N1-(2-chloro-4-nitrophenyl)-N6-[2,6-dinitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5380
N1-(2-chloro-4-nitrophenyl)-N6-[2,6-dinitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine

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

8011-5380

Molecular Formula

C19H19ClF3N5O6 (C19 H19 ClF3 N5 O6)

Compound Name

N1-(2-chloro-4-nitrophenyl)-N6-[2,6-dinitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine

IUPAC name

N1-(2-chloro-4-nitrophenyl)-N6-[26-dinitro-4-(trifluoromethyl)phenyl]hexane-16-diamine

SMILES

[O-][N+](c(cc1)cc(Cl)c1NCCCCCCNc(c([N+]([O-])=O)cc(C(F)(F)F)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C19H19ClF3N5O6/c20-14-11-13(26(29)30)5-6-15(14)24-7-3-1-2-4-8-25-18-16(27(31)32)9-12(19(21,22)23)10-17(18)28(33)34/h5-6,9-11,24-25H,1-4,7-8H2

InChI Key

TWYKOUFMVQUCDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.84

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.514

Distribution Coefficient, logD

5.514

Water Solubility, LogSw

-6.11

Polar Surface Area

118.111

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 8011-5380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5380?
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What is the minimum amount of 8011-5380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5380
  • 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 8011-5380 available by request