K781-6239 Screening compound: 4-(2,3-dihydro-1H-indol-1-yl)-3-nitro-N-pentylbenzamide

K781-6239 Screening compound: 4-(2,3-dihydro-1H-indol-1-yl)-3-nitro-N-pentylbenzamide
K781-6239 Screening compound: 4-(2,3-dihydro-1H-indol-1-yl)-3-nitro-N-pentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-6239
4-(2,3-dihydro-1H-indol-1-yl)-3-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

K781-6239

Molecular Formula

C20H23N3O3 (C20 H23 N3 O3)

Compound Name

4-(2,3-dihydro-1H-indol-1-yl)-3-nitro-N-pentylbenzamide

IUPAC name

4-(23-dihydro-1H-indol-1-yl)-3-nitro-N-pentylbenzamide

SMILES

CCCCCNC(c(cc1)cc([N+]([O-])=O)c1N(CC1)c2c1cccc2)=O

InChI

InChI=1S/C20H23N3O3/c1-2-3-6-12-21-20(24)16-9-10-18(19(14-16)23(25)26)22-13-11-15-7-4-5-8-17(15)22/h4-5,7-10,14H,2-3,6,11-13H2,1H3,(H,21,24)

InChI Key

PZGSVYNXLNUOLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02937717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.16

Polar Surface Area

60.027

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with K781-6239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-6239?
Check Price and Availability of K781-6239, 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 K781-6239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-6239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-6239
  • 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 K781-6239 available by request