L654-0110 Screening compound: N~2~-[(3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-6-YL)SULFONYL]-N~1~-(1,3-THIAZOL-4-YLMETHYL)ALANINAMIDE

L654-0110 Screening compound: N~2~-[(3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-6-YL)SULFONYL]-N~1~-(1,3-THIAZOL-4-YLMETHYL)ALANINAMIDE
L654-0110 Screening compound: N~2~-[(3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-6-YL)SULFONYL]-N~1~-(1,3-THIAZOL-4-YLMETHYL)ALANINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L654-0110
N~2~-[(3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-6-YL)SULFONYL]-N~1~-(1,3-THIAZOL-4-YLMETHYL)ALANINAMIDE

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

L654-0110

Molecular Formula

C15H16N4O5S2 (C15 H16 N4 O5 S2)

Compound Name

N~2~-[(3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-6-YL)SULFONYL]-N~1~-(1,3-THIAZOL-4-YLMETHYL)ALANINAMIDE

IUPAC name

n/a

SMILES

CC(C(NCc1cscn1)=O)NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C15H16N4O5S2/c1-9(14(20)16-6-10-7-25-8-17-10)18-26(22,23)11-3-4-12-13(5-11)24-15(21)19(12)2/h3-5,7-9,18H,6H2,1-2H3,(H,16,20)/t9-/m0/s1

InChI Key

JLLNZNIKEZJYIP-VIFPVBQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.530

Distribution Coefficient, logD

0.529

Water Solubility, LogSw

-2.48

Polar Surface Area

99.047

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

L654-0110 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L654-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L654-0110?
Check Price and Availability of L654-0110, 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 L654-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L654-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L654-0110
  • 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 L654-0110 available by request