CM4612-1435 Screening compound: N-[2-(5-{1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylacetamide

CM4612-1435 Screening compound: N-[2-(5-{1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylacetamide
CM4612-1435 Screening compound: N-[2-(5-{1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4612-1435
N-[2-(5-{1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylacetamide

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

CM4612-1435

Molecular Formula

C16H21N5O4 (C16 H21 N5 O4)

Compound Name

N-[2-(5-{1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylacetamide

IUPAC name

N-(2-{5-[1-(35-dimethyl-12-oxazole-4-carbonyl)azetidin-3-yl]-124-oxadiazol-3-yl}ethyl)-N-methylacetamide

SMILES

CC(N(C)CCc1noc(C(C2)CN2C(c2c(C)onc2C)=O)n1)=O

InChI

InChI=1S/C16H21N5O4/c1-9-14(10(2)24-18-9)16(23)21-7-12(8-21)15-17-13(19-25-15)5-6-20(4)11(3)22/h12H,5-8H2,1-4H3

InChI Key

PBLCILWHJQCAQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.224

Distribution Coefficient, logD

0.224

Water Solubility, LogSw

-0.30

Polar Surface Area

88.659

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

CM4612-1435 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with CM4612-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4612-1435?
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What is the minimum amount of CM4612-1435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4612-1435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4612-1435
  • 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 CM4612-1435 available by request