8007-2193 Screening compound: N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-2-nitroaniline

8007-2193 Screening compound: N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-2-nitroaniline
8007-2193 Screening compound: N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2193
N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-2-nitroaniline

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

8007-2193

Molecular Formula

C18H21ClN2O3 (C18 H21 ClN2 O3)

Compound Name

N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-2-nitroaniline

IUPAC name

N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-2-nitroaniline

SMILES

CC(C)(C)c(cc1)ccc1OCCNc(cc(cc1)Cl)c1[N+]([O-])=O

InChI

InChI=1S/C18H21ClN2O3/c1-18(2,3)13-4-7-15(8-5-13)24-11-10-20-16-12-14(19)6-9-17(16)21(22)23/h4-9,12,20H,10-11H2,1-3H3

InChI Key

XNZWOJBHWRUGFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00763712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.354

Distribution Coefficient, logD

6.354

Water Solubility, LogSw

-6.38

Polar Surface Area

50.115

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8007-2193 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8007-2193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-2193?
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What is the minimum amount of 8007-2193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2193
  • 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 8007-2193 available by request