M021-0072 Screening compound: 1-({2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}sulfonyl)-4-phenylpiperazine

M021-0072 Screening compound: 1-({2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}sulfonyl)-4-phenylpiperazine
M021-0072 Screening compound: 1-({2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}sulfonyl)-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M021-0072
1-({2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}sulfonyl)-4-phenylpiperazine

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

M021-0072

Molecular Formula

C22H25N5O4S2 (C22 H25 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(sc(-c1nnc(C(N2CCCC2)=O)o1)c1)c1S(N(CC1)CCN1c1ccccc1)(=O)=O

InChI

InChI=1S/C22H25N5O4S2/c1-16-19(33(29,30)27-13-11-25(12-14-27)17-7-3-2-4-8-17)15-18(32-16)20-23-24-21(31-20)22(28)26-9-5-6-10-26/h2-4,7-8,15H,5-6,9-14H2,1H3

InChI Key

HVTFZFZHBRDQSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.32

Polar Surface Area

83.758

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

M021-0072 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M021-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M021-0072?
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What is the minimum amount of M021-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M021-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M021-0072
  • 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 M021-0072 available by request