L865-0038 Screening compound: methyl 4-(1-{7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}piperidine-4-amido)benzoate

L865-0038 Screening compound: methyl 4-(1-{7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}piperidine-4-amido)benzoate
L865-0038 Screening compound: methyl 4-(1-{7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}piperidine-4-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L865-0038
methyl 4-(1-{7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}piperidine-4-amido)benzoate

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

L865-0038

Molecular Formula

C19H19N5O4S (C19 H19 N5 O4 S)

Compound Name

methyl 4-(1-{7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}piperidine-4-amido)benzoate

IUPAC name

methyl 4-(1-{7-oxo-6H7H-[13]thiazolo[45-d]pyrimidin-2-yl}piperidine-4-amido)benzoate

SMILES

COC(c(cc1)ccc1NC(C(CC1)CCN1c1nc(N=CNC2=O)c2s1)=O)=O

InChI

InChI=1S/C19H19N5O4S/c1-28-18(27)12-2-4-13(5-3-12)22-16(25)11-6-8-24(9-7-11)19-23-15-14(29-19)17(26)21-10-20-15/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,20,21,26)

InChI Key

BWUWEGXQCPRLGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27482435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.885

Distribution Coefficient, logD

1.882

Water Solubility, LogSw

-2.47

Polar Surface Area

94.048

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

L865-0038 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L865-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L865-0038?
Check Price and Availability of L865-0038, 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 L865-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L865-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L865-0038
  • 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 L865-0038 available by request