M033-0481 Screening compound: 1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]-4-(furan-2-carbonyl)piperazine

M033-0481 Screening compound: 1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]-4-(furan-2-carbonyl)piperazine
M033-0481 Screening compound: 1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]-4-(furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M033-0481
1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]-4-(furan-2-carbonyl)piperazine

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

M033-0481

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]-4-(furan-2-carbonyl)piperazine

IUPAC name

1-[4-(2-ethyl-13-thiazol-4-yl)benzoyl]-4-(furan-2-carbonyl)piperazine

SMILES

CCc1nc(-c(cc2)ccc2C(N(CC2)CCN2C(c2ccco2)=O)=O)cs1

InChI

InChI=1S/C21H21N3O3S/c1-2-19-22-17(14-28-19)15-5-7-16(8-6-15)20(25)23-9-11-24(12-10-23)21(26)18-4-3-13-27-18/h3-8,13-14H,2,9-12H2,1H3

InChI Key

KUXRVCLJXWGYQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.108

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-3.05

Polar Surface Area

52.150

Acid Dissociation Constant (pKa)

29.03

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M033-0481 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 M033-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M033-0481?
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What is the minimum amount of M033-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M033-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M033-0481
  • 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 M033-0481 available by request