L701-0819 Screening compound: 1-(azepan-1-yl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}propan-1-one

L701-0819 Screening compound: 1-(azepan-1-yl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}propan-1-one
L701-0819 Screening compound: 1-(azepan-1-yl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-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 L701-0819
1-(azepan-1-yl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-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

L701-0819

Molecular Formula

C24H28N8O2 (C24 H28 N8 O2)

Compound Name

1-(azepan-1-yl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-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-(4567-tetrahydro-1H-indazol-3-yl)-124-oxadiazol-3-yl]-1H-123-benzotriazol-1-yl}propan-1-one

SMILES

O=C(CCn1nnc2c1ccc(-c1noc(-c3n[nH]c4c3CCCC4)n1)c2)N1CCCCCC1

InChI

InChI=1S/C24H28N8O2/c33-21(31-12-5-1-2-6-13-31)11-14-32-20-10-9-16(15-19(20)27-30-32)23-25-24(34-29-23)22-17-7-3-4-8-18(17)26-28-22/h9-10,15H,1-8,11-14H2,(H,26,28)

InChI Key

VTANENIXKSZODB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.62

Polar Surface Area

98.725

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L701-0819 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 L701-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0819?
Check Price and Availability of L701-0819, 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 L701-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0819
  • 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 L701-0819 available by request