4137-0124 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetamide

4137-0124 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetamide
4137-0124 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4137-0124
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetamide

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

4137-0124

Molecular Formula

C20H16N4O3S (C20 H16 N4 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[2-(13-thiazol-5-yl)-1H-13-benzodiazol-1-yl]acetamide

SMILES

O=C(Cn1c(-c2cncs2)nc2c1cccc2)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H16N4O3S/c25-19(22-13-5-6-16-17(9-13)27-8-7-26-16)11-24-15-4-2-1-3-14(15)23-20(24)18-10-21-12-28-18/h1-6,9-10,12H,7-8,11H2,(H,22,25)

InChI Key

DREGWNHSACYPPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03103028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.837

Distribution Coefficient, logD

2.837

Water Solubility, LogSw

-3.01

Polar Surface Area

58.966

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4137-0124 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4137-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4137-0124?
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What is the minimum amount of 4137-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4137-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4137-0124
  • 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 4137-0124 available by request