3814-0169 Screening compound: N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-4-nitrobenzamide

3814-0169 Screening compound: N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-4-nitrobenzamide
3814-0169 Screening compound: N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3814-0169
N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-4-nitrobenzamide

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

3814-0169

Molecular Formula

C21H17N3O5S (C21 H17 N3 O5 S)

Compound Name

N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-4-nitrobenzamide

IUPAC name

N-[4-(23-dihydro-1H-indole-1-sulfonyl)phenyl]-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O)=O)=O

InChI

InChI=1S/C21H17N3O5S/c25-21(16-5-9-18(10-6-16)24(26)27)22-17-7-11-19(12-8-17)30(28,29)23-14-13-15-3-1-2-4-20(15)23/h1-12H,13-14H2,(H,22,25)

InChI Key

KYHUUJQMJFCMCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01813951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.729

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-4.23

Polar Surface Area

88.230

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 3814-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3814-0169?
Check Price and Availability of 3814-0169, 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 3814-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3814-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3814-0169
  • 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 3814-0169 available by request