Y031-8230 Screening compound: 2-chloro-4-nitro-N-pentylbenzamide

Y031-8230 Screening compound: 2-chloro-4-nitro-N-pentylbenzamide
Y031-8230 Screening compound: 2-chloro-4-nitro-N-pentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8230
2-chloro-4-nitro-N-pentylbenzamide

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

Y031-8230

Molecular Formula

C12H15ClN2O3 (C12 H15 ClN2 O3)

Compound Name

2-chloro-4-nitro-N-pentylbenzamide

IUPAC name

2-chloro-4-nitro-N-pentylbenzamide

SMILES

CCCCCNC(c(ccc([N+]([O-])=O)c1)c1Cl)=O

InChI

InChI=1S/C12H15ClN2O3/c1-2-3-4-7-14-12(16)10-6-5-9(15(17)18)8-11(10)13/h5-6,8H,2-4,7H2,1H3,(H,14,16)

InChI Key

CIJSFYULJNUCES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01115649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.22

Polar Surface Area

58.146

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

References: we are preparing a list of scientific research reports with Y031-8230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8230?
Check Price and Availability of Y031-8230, 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 Y031-8230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8230
  • 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 Y031-8230 available by request