SB54-0380 Screening compound: 2-furyl[(3S,4S)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]methanone

SB54-0380 Screening compound: 2-furyl[(3S,4S)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]methanone
SB54-0380 Screening compound: 2-furyl[(3S,4S)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB54-0380
2-furyl[(3S,4S)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]methanone

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

SB54-0380

Molecular Formula

C16H21N3O4 (C16 H21 N3 O4)

Compound Name

2-furyl[(3S,4S)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]methanone

IUPAC name

2-[(3S4S)-1-(furan-2-carbonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-5-(propan-2-yl)-134-oxadiazole

SMILES

CC(C)c1nnc([C@@H](C2)[C@@H](COC)CN2C(c2ccco2)=O)o1

InChI

InChI=1S/C16H21N3O4/c1-10(2)14-17-18-15(23-14)12-8-19(7-11(12)9-21-3)16(20)13-5-4-6-22-13/h4-6,10-12H,7-9H2,1-3H3/t11-,12+/m0/s1

InChI Key

DBBFAQDDAVDNFS-NWDGAFQWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.680

Distribution Coefficient, logD

1.680

Water Solubility, LogSw

-2.22

Polar Surface Area

64.637

Acid Dissociation Constant (pKa)

24.11

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.25

SB54-0380 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB54-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB54-0380?
Check Price and Availability of SB54-0380, 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 SB54-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB54-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB54-0380
  • 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 SB54-0380 available by request