L407-0249 Screening compound: N,N-dimethyl-2-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,3-benzoxazole-5-carboxamide

L407-0249 Screening compound: N,N-dimethyl-2-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,3-benzoxazole-5-carboxamide
L407-0249 Screening compound: N,N-dimethyl-2-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,3-benzoxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L407-0249
N,N-dimethyl-2-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-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

L407-0249

Molecular Formula

C23H27N5O3S (C23 H27 N5 O3 S)

Compound Name

N,N-dimethyl-2-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,3-benzoxazole-5-carboxamide

IUPAC name

NN-dimethyl-2-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-13-benzoxazole-5-carboxamide

SMILES

CN(C)C(c(cc1)cc2c1oc(CN(CC1)CCN1C(Nc1cccc(SC)c1)=O)n2)=O

InChI

InChI=1S/C23H27N5O3S/c1-26(2)22(29)16-7-8-20-19(13-16)25-21(31-20)15-27-9-11-28(12-10-27)23(30)24-17-5-4-6-18(14-17)32-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,30)

InChI Key

HCROPTQHGTYHFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15126143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.840

Distribution Coefficient, logD

1.831

Water Solubility, LogSw

-2.65

Polar Surface Area

61.996

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L407-0249 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L407-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L407-0249?
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What is the minimum amount of L407-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L407-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L407-0249
  • 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 L407-0249 available by request