L407-0317 Screening compound: 2-({4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]piperazin-1-yl}methyl)-N,N-diethyl-1,3-benzoxazole-5-carboxamide

L407-0317 Screening compound: 2-({4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]piperazin-1-yl}methyl)-N,N-diethyl-1,3-benzoxazole-5-carboxamide
L407-0317 Screening compound: 2-({4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]piperazin-1-yl}methyl)-N,N-diethyl-1,3-benzoxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L407-0317
2-({4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]piperazin-1-yl}methyl)-N,N-diethyl-1,3-benzoxazole-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

L407-0317

Molecular Formula

C26H31N5O5 (C26 H31 N5 O5)

Compound Name

2-({4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]piperazin-1-yl}methyl)-N,N-diethyl-1,3-benzoxazole-5-carboxamide

IUPAC name

2-({4-[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]piperazin-1-yl}methyl)-NN-diethyl-13-benzoxazole-5-carboxamide

SMILES

CCN(CC)C(c(cc1)cc2c1oc(CN(CC1)CCN1C(Nc(cc1)cc3c1OCCO3)=O)n2)=O

InChI

InChI=1S/C26H31N5O5/c1-3-30(4-2)25(32)18-5-7-21-20(15-18)28-24(36-21)17-29-9-11-31(12-10-29)26(33)27-19-6-8-22-23(16-19)35-14-13-34-22/h5-8,15-16H,3-4,9-14,17H2,1-2H3,(H,27,33)

InChI Key

MXOCIVVBPPHQOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15126169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.318

Distribution Coefficient, logD

1.309

Water Solubility, LogSw

-2.29

Polar Surface Area

77.751

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

L407-0317 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L407-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L407-0317?
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What is the minimum amount of L407-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L407-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L407-0317
  • 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 L407-0317 available by request