8011-8421 Screening compound: 1-(2-chloro-4-nitroanilino)-3-(2,4-dinitroanilino)-2-propanol

8011-8421 Screening compound: 1-(2-chloro-4-nitroanilino)-3-(2,4-dinitroanilino)-2-propanol
8011-8421 Screening compound: 1-(2-chloro-4-nitroanilino)-3-(2,4-dinitroanilino)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8421
1-(2-chloro-4-nitroanilino)-3-(2,4-dinitroanilino)-2-propanol

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

8011-8421

Molecular Formula

C15H14ClN5O7 (C15 H14 ClN5 O7)

Compound Name

1-(2-chloro-4-nitroanilino)-3-(2,4-dinitroanilino)-2-propanol

IUPAC name

1-[(2-chloro-4-nitrophenyl)amino]-3-[(24-dinitrophenyl)amino]propan-2-ol

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1NCC(CNc(ccc([N+]([O-])=O)c1)c1Cl)O)=O

InChI

InChI=1S/C15H14ClN5O7/c16-12-5-9(19(23)24)1-3-13(12)17-7-11(22)8-18-14-4-2-10(20(25)26)6-15(14)21(27)28/h1-6,11,17-18,22H,7-8H2/t11-/m1/s1

InChI Key

HEPDOABKOHZIPP-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01029229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.76

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.336

Distribution Coefficient, logD

3.336

Water Solubility, LogSw

-3.32

Polar Surface Area

136.047

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8011-8421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8421?
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What is the minimum amount of 8011-8421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8421
  • 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 8011-8421 available by request