S640-5960 Screening compound: (3S,4S)-1-(3-cyclohexenylcarbonyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N~3~-methyltetrahydro-1H-pyrrole-3-carboxamide

S640-5960 Screening compound: (3S,4S)-1-(3-cyclohexenylcarbonyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N~3~-methyltetrahydro-1H-pyrrole-3-carboxamide
S640-5960 Screening compound: (3S,4S)-1-(3-cyclohexenylcarbonyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N~3~-methyltetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S640-5960
(3S,4S)-1-(3-cyclohexenylcarbonyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N~3~-methyltetrahydro-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

S640-5960

Molecular Formula

C17H24N4O4 (C17 H24 N4 O4)

Compound Name

(3S,4S)-1-(3-cyclohexenylcarbonyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N~3~-methyltetrahydro-1H-pyrrole-3-carboxamide

IUPAC name

n/a

SMILES

CNC([C@@H](CN(C1)C(C2CC=CCC2)=O)[C@H]1c1nc(COC)no1)=O

InChI

InChI=1S/C17H24N4O4/c1-18-15(22)12-8-21(17(23)11-6-4-3-5-7-11)9-13(12)16-19-14(10-24-2)20-25-16/h3-4,11-13H,5-10H2,1-2H3,(H,18,22)/t11?,12-,13-/m1/s1

InChI Key

KBBIFXBHLNDNOL-VFRRUGBOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.964

Distribution Coefficient, logD

0.964

Water Solubility, LogSw

-2.02

Polar Surface Area

83.239

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

64.71

References: we are preparing a list of scientific research reports with S640-5960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S640-5960?
Check Price and Availability of S640-5960, 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 S640-5960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S640-5960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S640-5960
  • 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 S640-5960 available by request