M980-0101 Screening compound: 1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N~3~-(2-thienylmethyl)-3-pyrrolidinecarboxamide

M980-0101 Screening compound: 1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N~3~-(2-thienylmethyl)-3-pyrrolidinecarboxamide
M980-0101 Screening compound: 1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N~3~-(2-thienylmethyl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M980-0101
1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N~3~-(2-thienylmethyl)-3-pyrrolidinecarboxamide

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

M980-0101

Molecular Formula

C18H17N3O3S (C18 H17 N3 O3 S)

Compound Name

1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N~3~-(2-thienylmethyl)-3-pyrrolidinecarboxamide

IUPAC name

n/a

SMILES

Cc1nc(cc(cc2)N(CC(C3)C(NCc4cccs4)=O)C3=O)c2o1

InChI

InChI=1S/C18H17N3O3S/c1-11-20-15-8-13(4-5-16(15)24-11)21-10-12(7-17(21)22)18(23)19-9-14-3-2-6-25-14/h2-6,8,12H,7,9-10H2,1H3,(H,19,23)/t12-/m0/s1

InChI Key

UIZQVBQYOHIXGK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27558481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

2.033

Water Solubility, LogSw

-2.76

Polar Surface Area

58.730

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

M980-0101 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M980-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M980-0101?
Check Price and Availability of M980-0101, 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 M980-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M980-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M980-0101
  • 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 M980-0101 available by request