L694-0398 Screening compound: 6-({4-[3-(1H-indol-3-yl)propanoyl]piperazin-1-yl}sulfonyl)-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one

L694-0398 Screening compound: 6-({4-[3-(1H-indol-3-yl)propanoyl]piperazin-1-yl}sulfonyl)-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one
L694-0398 Screening compound: 6-({4-[3-(1H-indol-3-yl)propanoyl]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 L694-0398
6-({4-[3-(1H-indol-3-yl)propanoyl]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

L694-0398

Molecular Formula

C25H28N4O5S (C25 H28 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(c(ccc(S(N(CC1)CCN1C(CCc1c[nH]c2c1cccc2)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C25H28N4O5S/c1-17(2)29-22-9-8-19(15-23(22)34-25(29)31)35(32,33)28-13-11-27(12-14-28)24(30)10-7-18-16-26-21-6-4-3-5-20(18)21/h3-6,8-9,15-17,26H,7,10-14H2,1-2H3

InChI Key

OTHWIRGETMUNLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

3.040

Water Solubility, LogSw

-3.67

Polar Surface Area

80.570

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L694-0398 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L694-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0398?
Check Price and Availability of L694-0398, 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 L694-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0398
  • 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 L694-0398 available by request