M033-0774 Screening compound: 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]benzamide

M033-0774 Screening compound: 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]benzamide
M033-0774 Screening compound: 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M033-0774
4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]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

M033-0774

Molecular Formula

C20H17FN2OS (C20 H17 FN2 OS)

Compound Name

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

IUPAC name

4-(2-cyclopropyl-13-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]benzamide

SMILES

O=C(c(cc1)ccc1-c1csc(C2CC2)n1)NCc(cc1)ccc1F

InChI

InChI=1S/C20H17FN2OS/c21-17-9-1-13(2-10-17)11-22-19(24)15-5-3-14(4-6-15)18-12-25-20(23-18)16-7-8-16/h1-6,9-10,12,16H,7-8,11H2,(H,22,24)

InChI Key

DCGKRFXKIHOESU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.506

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.48

Polar Surface Area

34.637

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M033-0774 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 M033-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M033-0774?
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What is the minimum amount of M033-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M033-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M033-0774
  • 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 M033-0774 available by request