L407-0195 Screening compound: methyl 2-[(4-{[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate

L407-0195 Screening compound: methyl 2-[(4-{[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate
L407-0195 Screening compound: methyl 2-[(4-{[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L407-0195
methyl 2-[(4-{[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate

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

L407-0195

Molecular Formula

C24H27N5O5 (C24 H27 N5 O5)

Compound Name

methyl 2-[(4-{[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate

IUPAC name

methyl 2-[(4-{[5-(dimethylcarbamoyl)-13-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate

SMILES

CN(C)C(c(cc1)cc2c1oc(CN(CC1)CCN1C(Nc(cccc1)c1C(OC)=O)=O)n2)=O

InChI

InChI=1S/C24H27N5O5/c1-27(2)22(30)16-8-9-20-19(14-16)25-21(34-20)15-28-10-12-29(13-11-28)24(32)26-18-7-5-4-6-17(18)23(31)33-3/h4-9,14H,10-13,15H2,1-3H3,(H,26,32)

InChI Key

RHZVAFANLNXKFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15126129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.500

Distribution Coefficient, logD

1.490

Water Solubility, LogSw

-2.47

Polar Surface Area

82.472

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L407-0195 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 L407-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L407-0195?
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What is the minimum amount of L407-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L407-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L407-0195
  • 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 L407-0195 available by request