M033-0710 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide

M033-0710 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide
M033-0710 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M033-0710
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide

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

M033-0710

Molecular Formula

C21H18N2O3S (C21 H18 N2 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-(2-cyclopropyl-13-thiazol-4-yl)benzamide

SMILES

O=C(c(cc1)ccc1-c1csc(C2CC2)n1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H18N2O3S/c24-20(22-10-13-1-8-18-19(9-13)26-12-25-18)15-4-2-14(3-5-15)17-11-27-21(23-17)16-6-7-16/h1-5,8-9,11,16H,6-7,10,12H2,(H,22,24)

InChI Key

PEFUJKYUFSNYBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.390

Distribution Coefficient, logD

4.390

Water Solubility, LogSw

-4.47

Polar Surface Area

51.753

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M033-0710 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 M033-0710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M033-0710?
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What is the minimum amount of M033-0710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M033-0710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M033-0710
  • 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 M033-0710 available by request