M021-0111 Screening compound: 2-methyl-N-[(oxolan-2-yl)methyl]-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide

M021-0111 Screening compound: 2-methyl-N-[(oxolan-2-yl)methyl]-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
M021-0111 Screening compound: 2-methyl-N-[(oxolan-2-yl)methyl]-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M021-0111
2-methyl-N-[(oxolan-2-yl)methyl]-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide

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

M021-0111

Molecular Formula

C17H22N4O5S2 (C17 H22 N4 O5 S2)

Compound Name

2-methyl-N-[(oxolan-2-yl)methyl]-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide

IUPAC name

2-methyl-N-[(oxolan-2-yl)methyl]-5-[5-(pyrrolidine-1-carbonyl)-134-oxadiazol-2-yl]thiophene-3-sulfonamide

SMILES

Cc(sc(-c1nnc(C(N2CCCC2)=O)o1)c1)c1S(NCC1OCCC1)(=O)=O

InChI

InChI=1S/C17H22N4O5S2/c1-11-14(28(23,24)18-10-12-5-4-8-25-12)9-13(27-11)15-19-20-16(26-15)17(22)21-6-2-3-7-21/h9,12,18H,2-8,10H2,1H3/t12-/m1/s1

InChI Key

RNEUUFGKIXMOTI-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27492869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.293

Distribution Coefficient, logD

1.293

Water Solubility, LogSw

-2.18

Polar Surface Area

99.199

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

M021-0111 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M021-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M021-0111?
Check Price and Availability of M021-0111, 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 M021-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M021-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M021-0111
  • 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 M021-0111 available by request