M033-0523 Screening compound: methyl 4-[4-(2-ethyl-1,3-thiazol-4-yl)benzamido]benzoate

M033-0523 Screening compound: methyl 4-[4-(2-ethyl-1,3-thiazol-4-yl)benzamido]benzoate
M033-0523 Screening compound: methyl 4-[4-(2-ethyl-1,3-thiazol-4-yl)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M033-0523
methyl 4-[4-(2-ethyl-1,3-thiazol-4-yl)benzamido]benzoate

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

M033-0523

Molecular Formula

C20H18N2O3S (C20 H18 N2 O3 S)

Compound Name

methyl 4-[4-(2-ethyl-1,3-thiazol-4-yl)benzamido]benzoate

IUPAC name

methyl 4-[4-(2-ethyl-13-thiazol-4-yl)benzamido]benzoate

SMILES

CCc1nc(-c(cc2)ccc2C(Nc(cc2)ccc2C(OC)=O)=O)cs1

InChI

InChI=1S/C20H18N2O3S/c1-3-18-22-17(12-26-18)13-4-6-14(7-5-13)19(23)21-16-10-8-15(9-11-16)20(24)25-2/h4-12H,3H2,1-2H3,(H,21,23)

InChI Key

QTUGVDKZYYISSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.910

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-4.62

Polar Surface Area

54.733

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M033-0523 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 M033-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M033-0523?
Check Price and Availability of M033-0523, 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 M033-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M033-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M033-0523
  • 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 M033-0523 available by request