M034-4305 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-{3-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperazine

M034-4305 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-{3-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperazine
M034-4305 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-{3-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M034-4305
1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-{3-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperazine

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

M034-4305

Molecular Formula

C23H25N5O4 (C23 H25 N5 O4)

Compound Name

1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-{3-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperazine

IUPAC name

1-(23-dihydro-14-benzodioxine-2-carbonyl)-4-{3-[5-(propan-2-yl)-134-oxadiazol-2-yl]pyridin-2-yl}piperazine

SMILES

CC(C)c1nnc(-c2cccnc2N(CC2)CCN2C(C2Oc(cccc3)c3OC2)=O)o1

InChI

InChI=1S/C23H25N5O4/c1-15(2)21-25-26-22(32-21)16-6-5-9-24-20(16)27-10-12-28(13-11-27)23(29)19-14-30-17-7-3-4-8-18(17)31-19/h3-9,15,19H,10-14H2,1-2H3/t19-/m0/s1

InChI Key

LRRIBCSUPFRCKJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29031212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.081

Distribution Coefficient, logD

2.736

Water Solubility, LogSw

-3.37

Polar Surface Area

75.081

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

M034-4305 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M034-4305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M034-4305?
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What is the minimum amount of M034-4305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M034-4305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M034-4305
  • 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 M034-4305 available by request