3706-0362 Screening compound: methyl 2-{2-[(6-propanamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate

3706-0362 Screening compound: methyl 2-{2-[(6-propanamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
3706-0362 Screening compound: methyl 2-{2-[(6-propanamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3706-0362
methyl 2-{2-[(6-propanamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate

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

3706-0362

Molecular Formula

C20H19N3O4S2 (C20 H19 N3 O4 S2)

Compound Name

methyl 2-{2-[(6-propanamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate

IUPAC name

methyl 2-{2-[(6-propanamido-13-benzothiazol-2-yl)sulfanyl]acetamido}benzoate

SMILES

CCC(Nc(cc1)cc2c1nc(SCC(Nc(cccc1)c1C(OC)=O)=O)s2)=O

InChI

InChI=1S/C20H19N3O4S2/c1-3-17(24)21-12-8-9-15-16(10-12)29-20(23-15)28-11-18(25)22-14-7-5-4-6-13(14)19(26)27-2/h4-10H,3,11H2,1-2H3,(H,21,24)(H,22,25)

InChI Key

VJFINLOJMZMRSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03134906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.729

Water Solubility, LogSw

-3.96

Polar Surface Area

75.823

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3706-0362 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3706-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3706-0362?
Check Price and Availability of 3706-0362, 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 3706-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3706-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3706-0362
  • 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 3706-0362 available by request