L880-0197 Screening compound: methyl 4-[2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamido]benzoate

L880-0197 Screening compound: methyl 4-[2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamido]benzoate
L880-0197 Screening compound: methyl 4-[2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L880-0197
methyl 4-[2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-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

L880-0197

Molecular Formula

C25H26N4O5S (C25 H26 N4 O5 S)

Compound Name

methyl 4-[2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H4H5H-pyrimido[54-b]indol-2-yl}sulfanyl)acetamido]benzoate

SMILES

CCCN(C1=O)C(SCC(Nc(cc2)ccc2C(OC)=O)=O)=Nc2c1n(C)c(cc1)c2cc1OC

InChI

InChI=1S/C25H26N4O5S/c1-5-12-29-23(31)22-21(18-13-17(33-3)10-11-19(18)28(22)2)27-25(29)35-14-20(30)26-16-8-6-15(7-9-16)24(32)34-4/h6-11,13H,5,12,14H2,1-4H3,(H,26,30)

InChI Key

WDHBKBZOCNTHPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.20

Polar Surface Area

77.559

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L880-0197 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L880-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0197?
Check Price and Availability of L880-0197, 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 L880-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0197
  • 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 L880-0197 available by request