4682-0017 Screening compound: 3-({[(4-methylbenzenesulfonyl)carbamoyl]amino}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

4682-0017 Screening compound: 3-({[(4-methylbenzenesulfonyl)carbamoyl]amino}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
4682-0017 Screening compound: 3-({[(4-methylbenzenesulfonyl)carbamoyl]amino}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4682-0017
3-({[(4-methylbenzenesulfonyl)carbamoyl]amino}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic 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

4682-0017

Molecular Formula

C17H19N3O6S (C17 H19 N3 O6 S)

Compound Name

3-({[(4-methylbenzenesulfonyl)carbamoyl]amino}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

IUPAC name

3-({[(4-methylbenzenesulfonyl)carbamoyl]amino}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

SMILES

Cc(cc1)ccc1S(NC(NNC(C(C1C=CC2C1)C2C(O)=O)=O)=O)(=O)=O

InChI

InChI=1S/C17H19N3O6S/c1-9-2-6-12(7-3-9)27(25,26)20-17(24)19-18-15(21)13-10-4-5-11(8-10)14(13)16(22)23/h2-7,10-11,13-14H,8H2,1H3,(H,18,21)(H,22,23)(H2,19,20,24)

InChI Key

VMIUCZYUVYGKCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03040879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.853

Distribution Coefficient, logD

-5.060

Water Solubility, LogSw

-2.30

Polar Surface Area

121.637

Acid Dissociation Constant (pKa)

1.49

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

35.30

4682-0017 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4682-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4682-0017?
Check Price and Availability of 4682-0017, 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 4682-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4682-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4682-0017
  • 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 4682-0017 available by request