L337-0040 Screening compound: N~1~-benzyl-2-(5-{[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetamide

L337-0040 Screening compound: N~1~-benzyl-2-(5-{[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetamide
L337-0040 Screening compound: N~1~-benzyl-2-(5-{[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L337-0040
N~1~-benzyl-2-(5-{[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbonyl]amino}-1,3,4-thiadiazol-2-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

L337-0040

Molecular Formula

C20H19N5O4S (C20 H19 N5 O4 S)

Compound Name

N~1~-benzyl-2-(5-{[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

n/a

SMILES

O=C(Cc1nnc(NC(Nc(cc2)cc3c2OCCO3)=O)s1)NCc1ccccc1

InChI

InChI=1S/C20H19N5O4S/c26-17(21-12-13-4-2-1-3-5-13)11-18-24-25-20(30-18)23-19(27)22-14-6-7-15-16(10-14)29-9-8-28-15/h1-7,10H,8-9,11-12H2,(H,21,26)(H2,22,23,25,27)

InChI Key

VJXQKFUFJRFSMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27247060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.177

Distribution Coefficient, logD

2.176

Water Solubility, LogSw

-2.97

Polar Surface Area

96.605

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L337-0040 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L337-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L337-0040?
Check Price and Availability of L337-0040, 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 L337-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L337-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L337-0040
  • 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 L337-0040 available by request