S721-1972 Screening compound: 1-(5-methylthiophene-2-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

S721-1972 Screening compound: 1-(5-methylthiophene-2-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
S721-1972 Screening compound: 1-(5-methylthiophene-2-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-1972
1-(5-methylthiophene-2-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

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

S721-1972

Molecular Formula

C16H17N3O3S (C16 H17 N3 O3 S)

Compound Name

1-(5-methylthiophene-2-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

IUPAC name

(2S4S)-1-(5-methylthiophene-2-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

SMILES

Cc1ccc(C(N(C[C@H](C2)Oc3cnccc3)[C@@H]2C(N)=O)=O)s1

InChI

InChI=1S/C16H17N3O3S/c1-10-4-5-14(23-10)16(21)19-9-12(7-13(19)15(17)20)22-11-3-2-6-18-8-11/h2-6,8,12-13H,7,9H2,1H3,(H2,17,20)/t12-,13+/m1/s1

InChI Key

XTAPHHRVINLDOI-OLZOCXBDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.312

Distribution Coefficient, logD

1.300

Water Solubility, LogSw

-1.43

Polar Surface Area

67.737

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.25

S721-1972 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Natural-Product-Based Library (3730 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S721-1972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-1972?
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What is the minimum amount of S721-1972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-1972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-1972
  • 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 S721-1972 available by request