2023-0041 Screening compound: N1-(2-chloro-4-nitrophenyl)butane-1,4-diamine

2023-0041 Screening compound: N1-(2-chloro-4-nitrophenyl)butane-1,4-diamine
2023-0041 Screening compound: N1-(2-chloro-4-nitrophenyl)butane-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2023-0041
N1-(2-chloro-4-nitrophenyl)butane-1,4-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

2023-0041

Molecular Formula

C10H14ClN3O2 (C10 H14 ClN3 O2)

Compound Name

N1-(2-chloro-4-nitrophenyl)butane-1,4-diamine

IUPAC name

N1-(2-chloro-4-nitrophenyl)butane-14-diamine

SMILES

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

InChI

InChI=1S/C10H14ClN3O2/c11-9-7-8(14(15)16)3-4-10(9)13-6-2-1-5-12/h3-4,7,13H,1-2,5-6,12H2

InChI Key

LCHVEXLDHGDWKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01173830

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

243.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.693

Distribution Coefficient, logD

-1.972

Water Solubility, LogSw

-2.60

Polar Surface Area

64.425

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

11.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 2023-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2023-0041?
Check Price and Availability of 2023-0041, 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 2023-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2023-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2023-0041
  • 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 2023-0041 available by request