L066-0029 Screening compound: 5-[1-(4-ethylbenzenesulfonyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

L066-0029 Screening compound: 5-[1-(4-ethylbenzenesulfonyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
L066-0029 Screening compound: 5-[1-(4-ethylbenzenesulfonyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L066-0029
5-[1-(4-ethylbenzenesulfonyl)piperidin-3-yl]-N-(4-fluorophenyl)-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

L066-0029

Molecular Formula

C22H23FN4O3S2 (C22 H23 FN4 O3 S2)

Compound Name

5-[1-(4-ethylbenzenesulfonyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[1-(4-ethylbenzenesulfonyl)piperidin-3-yl]-N-(4-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

CCc(cc1)ccc1S(N(CCC1)CC1c1nnc(C(Nc(cc2)ccc2F)=O)s1)(=O)=O

InChI

InChI=1S/C22H23FN4O3S2/c1-2-15-5-11-19(12-6-15)32(29,30)27-13-3-4-16(14-27)21-25-26-22(31-21)20(28)24-18-9-7-17(23)8-10-18/h5-12,16H,2-4,13-14H2,1H3,(H,24,28)/t16-/m0/s1

InChI Key

RYVDBXAIDVZWDL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27228588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.265

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.03

Polar Surface Area

78.207

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with L066-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L066-0029?
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What is the minimum amount of L066-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L066-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L066-0029
  • 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 L066-0029 available by request