L888-0380 Screening compound: methyl 2-({3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzoate

L888-0380 Screening compound: methyl 2-({3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzoate
L888-0380 Screening compound: methyl 2-({3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L888-0380
methyl 2-({3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)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

L888-0380

Molecular Formula

C21H26N6O4S2 (C21 H26 N6 O4 S2)

Compound Name

methyl 2-({3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)benzoate

IUPAC name

methyl 2-({3-[4-ethyl-5-(ethylsulfanyl)-4H-124-triazol-3-yl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}sulfonyl)benzoate

SMILES

CCn1c(SCC)nnc1-c1nn(C)c(CC2)c1CN2S(c(cccc1)c1C(OC)=O)(=O)=O

InChI

InChI=1S/C21H26N6O4S2/c1-5-27-19(22-23-21(27)32-6-2)18-15-13-26(12-11-16(15)25(3)24-18)33(29,30)17-10-8-7-9-14(17)20(28)31-4/h7-10H,5-6,11-13H2,1-4H3

InChI Key

UNGCSGYNWYTZNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.416

Distribution Coefficient, logD

2.389

Water Solubility, LogSw

-2.74

Polar Surface Area

91.801

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L888-0380 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L888-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L888-0380?
Check Price and Availability of L888-0380, 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 L888-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L888-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L888-0380
  • 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 L888-0380 available by request