M057-2408 Screening compound: N-[1-(4-fluorophenyl)ethyl]-4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide

M057-2408 Screening compound: N-[1-(4-fluorophenyl)ethyl]-4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
M057-2408 Screening compound: N-[1-(4-fluorophenyl)ethyl]-4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M057-2408
N-[1-(4-fluorophenyl)ethyl]-4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide

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

M057-2408

Molecular Formula

C19H20FN3OS (C19 H20 FN3 OS)

Compound Name

N-[1-(4-fluorophenyl)ethyl]-4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide

IUPAC name

N-[1-(4-fluorophenyl)ethyl]-4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-13-thiazole-5-carboxamide

SMILES

CC(C)c1c(C(NC(C)c(cc2)ccc2F)=O)sc(-n2cccc2)n1

InChI

InChI=1S/C19H20FN3OS/c1-12(2)16-17(25-19(22-16)23-10-4-5-11-23)18(24)21-13(3)14-6-8-15(20)9-7-14/h4-13H,1-3H3,(H,21,24)/t13-/m0/s1

InChI Key

XCLNKXFGYWLHHD-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27494586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.084

Distribution Coefficient, logD

5.077

Water Solubility, LogSw

-4.88

Polar Surface Area

38.392

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

M057-2408 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M057-2408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M057-2408?
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What is the minimum amount of M057-2408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M057-2408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M057-2408
  • 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 M057-2408 available by request