L066-0497 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-3-yl}-1,3,4-thiadiazole-2-carboxamide

L066-0497 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-3-yl}-1,3,4-thiadiazole-2-carboxamide
L066-0497 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-3-yl}-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L066-0497
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-3-yl}-1,3,4-thiadiazole-2-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

L066-0497

Molecular Formula

C19H17ClN4O5S3 (C19 H17 ClN4 O5 S3)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-3-yl}-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-3-yl}-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(C(CCC2)CN2S(c(s2)ccc2Cl)(=O)=O)s1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H17ClN4O5S3/c20-15-5-6-16(30-15)32(26,27)24-7-1-2-11(9-24)18-22-23-19(31-18)17(25)21-12-3-4-13-14(8-12)29-10-28-13/h3-6,8,11H,1-2,7,9-10H2,(H,21,25)/t11-/m0/s1

InChI Key

OSUPCFHQVZYUTO-NSHDSACASA-N

MDL Number (MFCD)

MFCD27228799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.02

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-3.93

Polar Surface Area

96.340

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with L066-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L066-0497?
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What is the minimum amount of L066-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L066-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L066-0497
  • 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 L066-0497 available by request