M008-2971 Screening compound: N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[(5-fluoropyridin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxamide

M008-2971 Screening compound: N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[(5-fluoropyridin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxamide
M008-2971 Screening compound: N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[(5-fluoropyridin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M008-2971
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[(5-fluoropyridin-2-yl)amino]-4-methyl-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

M008-2971

Molecular Formula

C20H21FN4O3S (C20 H21 FN4 O3 S)

Compound Name

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[(5-fluoropyridin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

N-[1-(34-dimethoxyphenyl)ethyl]-2-[(5-fluoropyridin-2-yl)amino]-4-methyl-13-thiazole-5-carboxamide

SMILES

CC(c(cc1)cc(OC)c1OC)NC(c1c(C)nc(Nc(cc2)ncc2F)s1)=O

InChI

InChI=1S/C20H21FN4O3S/c1-11(13-5-7-15(27-3)16(9-13)28-4)23-19(26)18-12(2)24-20(29-18)25-17-8-6-14(21)10-22-17/h5-11H,1-4H3,(H,23,26)(H,22,24,25)/t11-/m0/s1

InChI Key

LNPAQZMXXDCRPV-NSHDSACASA-N

MDL Number (MFCD)

MFCD27491861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.210

Distribution Coefficient, logD

4.209

Water Solubility, LogSw

-4.29

Polar Surface Area

68.316

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

M008-2971 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with M008-2971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M008-2971?
Check Price and Availability of M008-2971, 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 M008-2971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M008-2971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M008-2971
  • 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 M008-2971 available by request