M678-0516 Screening compound: N~1~-(2-{2-[1-(cyclopropylcarbonyl)-3-piperidyl]-1,3-thiazol-4-yl}ethyl)-1-cyclobutanecarboxamide

M678-0516 Screening compound: N~1~-(2-{2-[1-(cyclopropylcarbonyl)-3-piperidyl]-1,3-thiazol-4-yl}ethyl)-1-cyclobutanecarboxamide
M678-0516 Screening compound: N~1~-(2-{2-[1-(cyclopropylcarbonyl)-3-piperidyl]-1,3-thiazol-4-yl}ethyl)-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M678-0516
N~1~-(2-{2-[1-(cyclopropylcarbonyl)-3-piperidyl]-1,3-thiazol-4-yl}ethyl)-1-cyclobutanecarboxamide

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

M678-0516

Molecular Formula

C19H27N3O2S (C19 H27 N3 O2 S)

Compound Name

N~1~-(2-{2-[1-(cyclopropylcarbonyl)-3-piperidyl]-1,3-thiazol-4-yl}ethyl)-1-cyclobutanecarboxamide

IUPAC name

N-{2-[2-(1-cyclopropanecarbonylpiperidin-3-yl)-13-thiazol-4-yl]ethyl}cyclobutanecarboxamide

SMILES

O=C(C1CC1)N(CCC1)CC1c1nc(CCNC(C2CCC2)=O)cs1

InChI

InChI=1S/C19H27N3O2S/c23-17(13-3-1-4-13)20-9-8-16-12-25-18(21-16)15-5-2-10-22(11-15)19(24)14-6-7-14/h12-15H,1-11H2,(H,20,23)/t15-/m0/s1

InChI Key

XFERWCGCVVCPAF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27551379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.711

Distribution Coefficient, logD

1.711

Water Solubility, LogSw

-2.24

Polar Surface Area

52.351

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

M678-0516 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with M678-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M678-0516?
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What is the minimum amount of M678-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M678-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M678-0516
  • 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 M678-0516 available by request