L694-0205 Screening compound: 6-({4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}sulfonyl)-3-ethyl-2,3-dihydro-1,3-benzoxazol-2-one

L694-0205 Screening compound: 6-({4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}sulfonyl)-3-ethyl-2,3-dihydro-1,3-benzoxazol-2-one
L694-0205 Screening compound: 6-({4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}sulfonyl)-3-ethyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L694-0205
6-({4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}sulfonyl)-3-ethyl-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

L694-0205

Molecular Formula

C23H27N3O7S (C23 H27 N3 O7 S)

Compound Name

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

IUPAC name

6-({4-[2-(34-dimethoxyphenyl)acetyl]piperazin-1-yl}sulfonyl)-3-ethyl-23-dihydro-13-benzoxazol-2-one

SMILES

CCN(c(ccc(S(N(CC1)CCN1C(Cc(cc1)cc(OC)c1OC)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C23H27N3O7S/c1-4-26-18-7-6-17(15-20(18)33-23(26)28)34(29,30)25-11-9-24(10-12-25)22(27)14-16-5-8-19(31-2)21(13-16)32-3/h5-8,13,15H,4,9-12,14H2,1-3H3

InChI Key

JDTMIRKIJRSMOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.898

Distribution Coefficient, logD

1.898

Water Solubility, LogSw

-2.71

Polar Surface Area

85.964

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with L694-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0205?
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What is the minimum amount of L694-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0205
  • 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 L694-0205 available by request