S640-0871 Screening compound: (3S,4S)-N~3~-methyl-N~1~-(4-methylbenzyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrole-1,3-dicarboxamide

S640-0871 Screening compound: (3S,4S)-N~3~-methyl-N~1~-(4-methylbenzyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrole-1,3-dicarboxamide
S640-0871 Screening compound: (3S,4S)-N~3~-methyl-N~1~-(4-methylbenzyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrole-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S640-0871
(3S,4S)-N~3~-methyl-N~1~-(4-methylbenzyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrole-1,3-dicarboxamide

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

S640-0871

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

(3S,4S)-N~3~-methyl-N~1~-(4-methylbenzyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrole-1,3-dicarboxamide

IUPAC name

n/a

SMILES

Cc1noc([C@@H](CN(C2)C(NCc3ccc(C)cc3)=O)[C@H]2C(NC)=O)n1

InChI

InChI=1S/C18H23N5O3/c1-11-4-6-13(7-5-11)8-20-18(25)23-9-14(16(24)19-3)15(10-23)17-21-12(2)22-26-17/h4-7,14-15H,8-10H2,1-3H3,(H,19,24)(H,20,25)/t14-,15-/m1/s1

InChI Key

BGHYGWSIVUCBQE-HUUCEWRRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.939

Distribution Coefficient, logD

0.939

Water Solubility, LogSw

-2.16

Polar Surface Area

83.388

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

S640-0871 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S640-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S640-0871?
Check Price and Availability of S640-0871, 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 S640-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S640-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S640-0871
  • 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 S640-0871 available by request