C998-0605 Screening compound: 2-[(5

C998-0605 Screening compound: 2-[(5
C998-0605 Screening compound: 2-[(5 alternative view

Chemical Structure Depiction of ChemDiv screening compound C998-0605
2-[(5

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

C998-0605

Molecular Formula

C17H19N5O3S2 (C17 H19 N5 O3 S2)

Compound Name

2-[(5

IUPAC name

n/a

SMILES

Cc1n[nH]c(NC(CN(C2=NC(CS(C3)(=O)=O)C3S2)c2ccccc2)=O)c1

InChI

InChI=1S/C17H19N5O3S2/c1-11-7-15(21-20-11)19-16(23)8-22(12-5-3-2-4-6-12)17-18-13-9-27(24,25)10-14(13)26-17/h2-7,13-14H,8-10H2,1H3,(H2,19,20,21,23)

InChI Key

LEXLDWJDZMLREB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.214

Distribution Coefficient, logD

1.213

Water Solubility, LogSw

-2.46

Polar Surface Area

86.299

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.30

C998-0605 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 C998-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C998-0605?
Check Price and Availability of C998-0605, 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 C998-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C998-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C998-0605
  • 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 C998-0605 available by request