8104-03857 Screening compound: N-(2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl)-4-nitroaniline

8104-03857 Screening compound: N-(2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl)-4-nitroaniline
8104-03857 Screening compound: N-(2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl)-4-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-03857
N-(2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl)-4-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

8104-03857

Molecular Formula

C14H17N3O2S (C14 H17 N3 O2 S)

Compound Name

N-(2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl)-4-nitroaniline

IUPAC name

N-(2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl)-4-nitroaniline

SMILES

Cc1ccc(CNCCNc(cc2)ccc2[N+]([O-])=O)s1

InChI

InChI=1S/C14H17N3O2S/c1-11-2-7-14(20-11)10-15-8-9-16-12-3-5-13(6-4-12)17(18)19/h2-7,15-16H,8-10H2,1H3

InChI Key

ZYNXFUJZHWGXKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07406154

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

291.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.001

Distribution Coefficient, logD

1.007

Water Solubility, LogSw

-3.34

Polar Surface Area

56.593

Acid Dissociation Constant (pKa)

18.48

Base Dissociation Constant (pKb)

9.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8104-03857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-03857?
Check Price and Availability of 8104-03857, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8104-03857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-03857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-03857
  • 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 8104-03857 available by request