L901-0279 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenoxypyrazin-2-yl)sulfanyl]benzamide

L901-0279 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenoxypyrazin-2-yl)sulfanyl]benzamide
L901-0279 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenoxypyrazin-2-yl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L901-0279
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenoxypyrazin-2-yl)sulfanyl]benzamide

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

L901-0279

Molecular Formula

C25H19N3O4S (C25 H19 N3 O4 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenoxypyrazin-2-yl)sulfanyl]benzamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[(3-phenoxypyrazin-2-yl)sulfanyl]benzamide

SMILES

O=C(c(cccc1)c1Sc1nccnc1Oc1ccccc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C25H19N3O4S/c29-23(28-17-10-11-20-21(16-17)31-15-14-30-20)19-8-4-5-9-22(19)33-25-24(26-12-13-27-25)32-18-6-2-1-3-7-18/h1-13,16H,14-15H2,(H,28,29)

InChI Key

LDULILWTHMSRSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.42

Polar Surface Area

64.614

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

L901-0279 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 L901-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L901-0279?
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What is the minimum amount of L901-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L901-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L901-0279
  • 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 L901-0279 available by request