L694-0412 Screening compound: 6-({4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl}sulfonyl)-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one

L694-0412 Screening compound: 6-({4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl}sulfonyl)-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one
L694-0412 Screening compound: 6-({4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl}sulfonyl)-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L694-0412
6-({4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl}sulfonyl)-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-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

L694-0412

Molecular Formula

C25H29N3O6S (C25 H29 N3 O6 S)

Compound Name

6-({4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl}sulfonyl)-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-({4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl}sulfonyl)-3-(propan-2-yl)-23-dihydro-13-benzoxazol-2-one

SMILES

CC(C)N(c(ccc(S(N(CC1)CCN1C(C1(CC1)c(cc1)ccc1OC)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C25H29N3O6S/c1-17(2)28-21-9-8-20(16-22(21)34-24(28)30)35(31,32)27-14-12-26(13-15-27)23(29)25(10-11-25)18-4-6-19(33-3)7-5-18/h4-9,16-17H,10-15H2,1-3H3

InChI Key

ODGGRJIEKRNGBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.979

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-3.65

Polar Surface Area

79.022

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

L694-0412 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L694-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0412?
Check Price and Availability of L694-0412, 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 L694-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0412
  • 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 L694-0412 available by request