L077-0738 Screening compound: 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-[(oxolan-2-yl)methyl]piperidine-1-carboxamide

L077-0738 Screening compound: 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-[(oxolan-2-yl)methyl]piperidine-1-carboxamide
L077-0738 Screening compound: 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-[(oxolan-2-yl)methyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L077-0738
4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-[(oxolan-2-yl)methyl]piperidine-1-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

L077-0738

Molecular Formula

C21H25N5O5S (C21 H25 N5 O5 S)

Compound Name

4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-[(oxolan-2-yl)methyl]piperidine-1-carboxamide

IUPAC name

4-{5-[(2H-13-benzodioxol-5-yl)carbamoyl]-134-thiadiazol-2-yl}-N-[(oxolan-2-yl)methyl]piperidine-1-carboxamide

SMILES

O=C(c1nnc(C(CC2)CCN2C(NCC2OCCC2)=O)s1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H25N5O5S/c27-18(23-14-3-4-16-17(10-14)31-12-30-16)20-25-24-19(32-20)13-5-7-26(8-6-13)21(28)22-11-15-2-1-9-29-15/h3-4,10,13,15H,1-2,5-9,11-12H2,(H,22,28)(H,23,27)/t15-/m1/s1

InChI Key

CCXUCQWGOODXBE-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD15118126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.680

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-2.56

Polar Surface Area

99.123

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

L077-0738 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L077-0738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L077-0738?
Check Price and Availability of L077-0738, 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 L077-0738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L077-0738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L077-0738
  • 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 L077-0738 available by request