M033-0841 Screening compound: methyl 4-[4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamido]benzoate

M033-0841 Screening compound: methyl 4-[4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamido]benzoate
M033-0841 Screening compound: methyl 4-[4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M033-0841
methyl 4-[4-(2-cyclopropyl-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

M033-0841

Molecular Formula

C21H18N2O3S (C21 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(c(cc1)ccc1-c1csc(C2CC2)n1)=O)=O

InChI

InChI=1S/C21H18N2O3S/c1-26-21(25)16-8-10-17(11-9-16)22-19(24)14-4-2-13(3-5-14)18-12-27-20(23-18)15-6-7-15/h2-5,8-12,15H,6-7H2,1H3,(H,22,24)

InChI Key

SEJIIBSJBYXVDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

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

4.902

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-4.62

Polar Surface Area

54.489

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M033-0841 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M033-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M033-0841?
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What is the minimum amount of M033-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M033-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M033-0841
  • 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 M033-0841 available by request