L701-0814 Screening compound: 1-(azepan-1-yl)-3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)propan-1-one

L701-0814 Screening compound: 1-(azepan-1-yl)-3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)propan-1-one
L701-0814 Screening compound: 1-(azepan-1-yl)-3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L701-0814
1-(azepan-1-yl)-3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)propan-1-one

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

L701-0814

Molecular Formula

C25H27ClN6O3 (C25 H27 ClN6 O3)

Compound Name

1-(azepan-1-yl)-3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)propan-1-one

IUPAC name

1-(azepan-1-yl)-3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-124-oxadiazol-3-yl}-1H-123-benzotriazol-1-yl)propan-1-one

SMILES

Cc(cc(cc1)Cl)c1OCc1nc(-c(cc2)cc3c2n(CCC(N2CCCCCC2)=O)nn3)no1

InChI

InChI=1S/C25H27ClN6O3/c1-17-14-19(26)7-9-22(17)34-16-23-27-25(29-35-23)18-6-8-21-20(15-18)28-30-32(21)13-10-24(33)31-11-4-2-3-5-12-31/h6-9,14-15H,2-5,10-13,16H2,1H3

InChI Key

AHEJJWHAEYPKMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.275

Distribution Coefficient, logD

5.275

Water Solubility, LogSw

-5.81

Polar Surface Area

81.024

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L701-0814 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L701-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0814?
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What is the minimum amount of L701-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0814
  • 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 L701-0814 available by request