L694-0421 Screening compound: 6-({4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}sulfonyl)-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one

L694-0421 Screening compound: 6-({4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}sulfonyl)-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one
L694-0421 Screening compound: 6-({4-[2-(3-methylphenoxy)acetyl]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 L694-0421
6-({4-[2-(3-methylphenoxy)acetyl]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

L694-0421

Molecular Formula

C23H27N3O6S (C23 H27 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(c(ccc(S(N(CC1)CCN1C(COc1cc(C)ccc1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C23H27N3O6S/c1-16(2)26-20-8-7-19(14-21(20)32-23(26)28)33(29,30)25-11-9-24(10-12-25)22(27)15-31-18-6-4-5-17(3)13-18/h4-8,13-14,16H,9-12,15H2,1-3H3

InChI Key

YEQLHVKVIYRYMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

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

2.671

Distribution Coefficient, logD

2.671

Water Solubility, LogSw

-3.10

Polar Surface Area

78.198

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

L694-0421 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L694-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0421?
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What is the minimum amount of L694-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0421
  • 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 L694-0421 available by request