L475-0395 Screening compound: 3-ethyl-6-{[4-(2-phenoxypropanoyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one

L475-0395 Screening compound: 3-ethyl-6-{[4-(2-phenoxypropanoyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one
L475-0395 Screening compound: 3-ethyl-6-{[4-(2-phenoxypropanoyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L475-0395
3-ethyl-6-{[4-(2-phenoxypropanoyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-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

L475-0395

Molecular Formula

C22H25N3O5S2 (C22 H25 N3 O5 S2)

Compound Name

3-ethyl-6-{[4-(2-phenoxypropanoyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one

IUPAC name

3-ethyl-6-{[4-(2-phenoxypropanoyl)piperazin-1-yl]sulfonyl}-23-dihydro-13-benzothiazol-2-one

SMILES

CCN(c(ccc(S(N(CC1)CCN1C(C(C)Oc1ccccc1)=O)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C22H25N3O5S2/c1-3-25-19-10-9-18(15-20(19)31-22(25)27)32(28,29)24-13-11-23(12-14-24)21(26)16(2)30-17-7-5-4-6-8-17/h4-10,15-16H,3,11-14H2,1-2H3/t16-/m0/s1

InChI Key

XDAJYZUTTDMOOC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27455346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.369

Distribution Coefficient, logD

3.369

Water Solubility, LogSw

-3.83

Polar Surface Area

70.764

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

L475-0395 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L475-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L475-0395?
Check Price and Availability of L475-0395, 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 L475-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L475-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L475-0395
  • 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 L475-0395 available by request