3706-0495 Screening compound: N-[2-({[(3-chloro-2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide

3706-0495 Screening compound: N-[2-({[(3-chloro-2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide
3706-0495 Screening compound: N-[2-({[(3-chloro-2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3706-0495
N-[2-({[(3-chloro-2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide

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

3706-0495

Molecular Formula

C19H18ClN3O2S2 (C19 H18 ClN3 O2 S2)

Compound Name

N-[2-({[(3-chloro-2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide

IUPAC name

N-[2-({[(3-chloro-2-methylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]propanamide

SMILES

CCC(Nc(cc1)cc2c1nc(SCC(Nc1cccc(Cl)c1C)=O)s2)=O

InChI

InChI=1S/C19H18ClN3O2S2/c1-3-17(24)21-12-7-8-15-16(9-12)27-19(23-15)26-10-18(25)22-14-6-4-5-13(20)11(14)2/h4-9H,3,10H2,1-2H3,(H,21,24)(H,22,25)

InChI Key

UMNFYTGMGFUEEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03134909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

4.825

Water Solubility, LogSw

-4.84

Polar Surface Area

54.649

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3706-0495 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 3706-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3706-0495?
Check Price and Availability of 3706-0495, 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 3706-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3706-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3706-0495
  • 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 3706-0495 available by request