4061-0029 Screening compound: N-(2-chlorophenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine

4061-0029 Screening compound: N-(2-chlorophenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
4061-0029 Screening compound: N-(2-chlorophenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4061-0029
N-(2-chlorophenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine

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

4061-0029

Molecular Formula

C16H14ClN5O4 (C16 H14 ClN5 O4)

Compound Name

N-(2-chlorophenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine

IUPAC name

N-(2-chlorophenyl)-7-(morpholin-4-yl)-4-nitro-213-benzoxadiazol-5-amine

SMILES

[O-][N+](c(c1nonc1c(N1CCOCC1)c1)c1Nc(cccc1)c1Cl)=O

InChI

InChI=1S/C16H14ClN5O4/c17-10-3-1-2-4-11(10)18-12-9-13(21-5-7-25-8-6-21)14-15(20-26-19-14)16(12)22(23)24/h1-4,9,18H,5-8H2

InChI Key

NIGLLCWAQDESLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01953853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.465

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.59

Polar Surface Area

88.455

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4061-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4061-0029?
Check Price and Availability of 4061-0029, 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 4061-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4061-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4061-0029
  • 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 4061-0029 available by request