L701-0840 Screening compound: 1-(azepan-1-yl)-3-(5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)propan-1-one

L701-0840 Screening compound: 1-(azepan-1-yl)-3-(5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)propan-1-one
L701-0840 Screening compound: 1-(azepan-1-yl)-3-(5-{5-[4-(trifluoromethyl)phenyl]-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 L701-0840
1-(azepan-1-yl)-3-(5-{5-[4-(trifluoromethyl)phenyl]-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

L701-0840

Molecular Formula

C24H23F3N6O2 (C24 H23 F3 N6 O2)

Compound Name

1-(azepan-1-yl)-3-(5-{5-[4-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-124-oxadiazol-3-yl}-1H-123-benzotriazol-1-yl)propan-1-one

SMILES

O=C(CCn1nnc2c1ccc(-c1noc(-c3ccc(C(F)(F)F)cc3)n1)c2)N1CCCCCC1

InChI

InChI=1S/C24H23F3N6O2/c25-24(26,27)18-8-5-16(6-9-18)23-28-22(30-35-23)17-7-10-20-19(15-17)29-31-33(20)14-11-21(34)32-12-3-1-2-4-13-32/h5-10,15H,1-4,11-14H2

InChI Key

VCDOVLAYMOKGFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.849

Distribution Coefficient, logD

4.849

Water Solubility, LogSw

-4.86

Polar Surface Area

73.772

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L701-0840 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L701-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0840?
Check Price and Availability of L701-0840, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L701-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0840
  • 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 L701-0840 available by request