1683-6710 Screening compound: 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid

1683-6710 Screening compound: 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid
1683-6710 Screening compound: 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6710
3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid

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

1683-6710

Molecular Formula

C17H15N3O6S (C17 H15 N3 O6 S)

Compound Name

3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid

IUPAC name

3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid

SMILES

[O-][N+](c(cc1)ccc1S(NC(Cc1c[nH]c2c1cccc2)C(O)=O)(=O)=O)=O

InChI

InChI=1S/C17H15N3O6S/c21-17(22)16(9-11-10-18-15-4-2-1-3-14(11)15)19-27(25,26)13-7-5-12(6-8-13)20(23)24/h1-8,10,16,18-19H,9H2,(H,21,22)/t16-/m0/s1

InChI Key

KJJXWLQWLLITGC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00573211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.978

Distribution Coefficient, logD

-1.758

Water Solubility, LogSw

-2.69

Polar Surface Area

113.501

Acid Dissociation Constant (pKa)

3.66

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

1683-6710 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1683-6710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6710?
Check Price and Availability of 1683-6710, 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 1683-6710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6710
  • 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 1683-6710 available by request