L864-1728 Screening compound: 1-{6-[(cyclohexylcarbamoyl)methyl]-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide

L864-1728 Screening compound: 1-{6-[(cyclohexylcarbamoyl)methyl]-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide
L864-1728 Screening compound: 1-{6-[(cyclohexylcarbamoyl)methyl]-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L864-1728
1-{6-[(cyclohexylcarbamoyl)methyl]-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide

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

L864-1728

Molecular Formula

C21H30N6O3S (C21 H30 N6 O3 S)

Compound Name

1-{6-[(cyclohexylcarbamoyl)methyl]-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide

IUPAC name

1-{6-[(cyclohexylcarbamoyl)methyl]-7-oxo-6H7H-[13]thiazolo[45-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide

SMILES

CCNC(C(CCC1)CN1c1nc(N=CN(CC(NC2CCCCC2)=O)C2=O)c2s1)=O

InChI

InChI=1S/C21H30N6O3S/c1-2-22-19(29)14-7-6-10-26(11-14)21-25-18-17(31-21)20(30)27(13-23-18)12-16(28)24-15-8-4-3-5-9-15/h13-15H,2-12H2,1H3,(H,22,29)(H,24,28)/t14-/m0/s1

InChI Key

MAAIEXZTIDXKBW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15135526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.824

Distribution Coefficient, logD

1.824

Water Solubility, LogSw

-2.33

Polar Surface Area

88.629

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

L864-1728 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L864-1728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L864-1728?
Check Price and Availability of L864-1728, 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 L864-1728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L864-1728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L864-1728
  • 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 L864-1728 available by request