M021-0199 Screening compound: 4-({2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}sulfonyl)morpholine

M021-0199 Screening compound: 4-({2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}sulfonyl)morpholine
M021-0199 Screening compound: 4-({2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}sulfonyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound M021-0199
4-({2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}sulfonyl)morpholine

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

M021-0199

Molecular Formula

C16H20N4O5S2 (C16 H20 N4 O5 S2)

Compound Name

4-({2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}sulfonyl)morpholine

IUPAC name

4-({2-methyl-5-[5-(pyrrolidine-1-carbonyl)-134-oxadiazol-2-yl]thiophen-3-yl}sulfonyl)morpholine

SMILES

Cc(sc(-c1nnc(C(N2CCCC2)=O)o1)c1)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C16H20N4O5S2/c1-11-13(27(22,23)20-6-8-24-9-7-20)10-12(26-11)14-17-18-15(25-14)16(21)19-4-2-3-5-19/h10H,2-9H2,1H3

InChI Key

MSRBMMWOOUHGBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.100

Distribution Coefficient, logD

1.100

Water Solubility, LogSw

-1.90

Polar Surface Area

88.406

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

M021-0199 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M021-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M021-0199?
Check Price and Availability of M021-0199, 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 M021-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M021-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M021-0199
  • 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 M021-0199 available by request