S640-4070 Screening compound: (3S,4S)-N~3~-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N~3~-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]tetrahydro-1H-pyrrole-3-carboxamide

S640-4070 Screening compound: (3S,4S)-N~3~-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N~3~-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]tetrahydro-1H-pyrrole-3-carboxamide
S640-4070 Screening compound: (3S,4S)-N~3~-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N~3~-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]tetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S640-4070
(3S,4S)-N~3~-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N~3~-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]tetrahydro-1H-pyrrole-3-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

S640-4070

Molecular Formula

C17H26N6O2 (C17 H26 N6 O2)

Compound Name

(3S,4S)-N~3~-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N~3~-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]tetrahydro-1H-pyrrole-3-carboxamide

IUPAC name

n/a

SMILES

Cc1c(CCN(C)C([C@@H](CNC2)[C@H]2c2nc(C)no2)=O)c(C)nn1C

InChI

InChI=1S/C17H26N6O2/c1-10-13(11(2)23(5)20-10)6-7-22(4)17(24)15-9-18-8-14(15)16-19-12(3)21-25-16/h14-15,18H,6-9H2,1-5H3/t14-,15-/m0/s1

InChI Key

BKFCTAPFRAFCJX-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.134

Distribution Coefficient, logD

-3.875

Water Solubility, LogSw

-1.38

Polar Surface Area

74.878

Acid Dissociation Constant (pKa)

20.58

Base Dissociation Constant (pKb)

11.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.71

S640-4070 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S640-4070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S640-4070?
Check Price and Availability of S640-4070, 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 S640-4070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S640-4070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S640-4070
  • 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 S640-4070 available by request