L517-0269 Screening compound: ETHYL 3-({[4-({[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]AMINO}CARBONYL)PIPERIDINO]CARBONYL}AMINO)PROPANOATE

L517-0269 Screening compound: ETHYL 3-({[4-({[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]AMINO}CARBONYL)PIPERIDINO]CARBONYL}AMINO)PROPANOATE
L517-0269 Screening compound: ETHYL 3-({[4-({[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]AMINO}CARBONYL)PIPERIDINO]CARBONYL}AMINO)PROPANOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound L517-0269
ETHYL 3-({[4-({[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]AMINO}CARBONYL)PIPERIDINO]CARBONYL}AMINO)PROPANOATE

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

L517-0269

Molecular Formula

C22H28N4O4S (C22 H28 N4 O4 S)

Compound Name

ETHYL 3-({[4-({[(2-PHENYL-1,3-THIAZOL-4-YL)METHYL]AMINO}CARBONYL)PIPERIDINO]CARBONYL}AMINO)PROPANOATE

IUPAC name

ethyl 3-[(4-{[(2-phenyl-13-thiazol-4-yl)methyl]carbamoyl}piperidine-1-carbonyl)amino]propanoate

SMILES

CCOC(CCNC(N(CC1)CCC1C(NCc1csc(-c2ccccc2)n1)=O)=O)=O

InChI

InChI=1S/C22H28N4O4S/c1-2-30-19(27)8-11-23-22(29)26-12-9-16(10-13-26)20(28)24-14-18-15-31-21(25-18)17-6-4-3-5-7-17/h3-7,15-16H,2,8-14H2,1H3,(H,23,29)(H,24,28)

InChI Key

ZKMSGUOIOBESHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15129201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.463

Distribution Coefficient, logD

2.463

Water Solubility, LogSw

-2.73

Polar Surface Area

81.944

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

L517-0269 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L517-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L517-0269?
Check Price and Availability of L517-0269, 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 L517-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L517-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L517-0269
  • 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 L517-0269 available by request