L701-0141 Screening compound: 3-(5-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one

L701-0141 Screening compound: 3-(5-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one
L701-0141 Screening compound: 3-(5-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-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 L701-0141
3-(5-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-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

L701-0141

Molecular Formula

C27H27N7O2 (C27 H27 N7 O2)

Compound Name

3-(5-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-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-[4-(25-dimethyl-1H-pyrrol-1-yl)phenyl]-124-oxadiazol-3-yl}-1H-123-benzotriazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one

SMILES

Cc1ccc(C)n1-c(cc1)ccc1-c1nc(-c(cc2)cc3c2n(CCC(N2CCCC2)=O)nn3)no1

InChI

InChI=1S/C27H27N7O2/c1-18-5-6-19(2)34(18)22-10-7-20(8-11-22)27-28-26(30-36-27)21-9-12-24-23(17-21)29-31-33(24)16-13-25(35)32-14-3-4-15-32/h5-12,17H,3-4,13-16H2,1-2H3

InChI Key

NPQLSMFZHLSOOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.56

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

4.089

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.17

Polar Surface Area

76.696

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

L701-0141 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L701-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0141?
Check Price and Availability of L701-0141, 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 L701-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0141
  • 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 L701-0141 available by request