L701-0079 Screening compound: 3-{5-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

L701-0079 Screening compound: 3-{5-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
L701-0079 Screening compound: 3-{5-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L701-0079
3-{5-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(pyrrolidin-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

L701-0079

Molecular Formula

C20H19N7O2 (C20 H19 N7 O2)

Compound Name

3-{5-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-{5-[5-(pyridin-2-yl)-124-oxadiazol-3-yl]-1H-123-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

SMILES

O=C(CCn1nnc2c1ccc(-c1noc(-c3ncccc3)n1)c2)N1CCCC1

InChI

InChI=1S/C20H19N7O2/c28-18(26-10-3-4-11-26)8-12-27-17-7-6-14(13-16(17)23-25-27)19-22-20(29-24-19)15-5-1-2-9-21-15/h1-2,5-7,9,13H,3-4,8,10-12H2

InChI Key

NYRDUYDXGAFYRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.62

Polar Surface Area

82.855

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L701-0079 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 L701-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0079?
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What is the minimum amount of L701-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0079
  • 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 L701-0079 available by request