L066-0004 Screening compound: N-(4-fluorophenyl)-5-[1-(2,4,6-trimethylbenzenesulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

L066-0004 Screening compound: N-(4-fluorophenyl)-5-[1-(2,4,6-trimethylbenzenesulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
L066-0004 Screening compound: N-(4-fluorophenyl)-5-[1-(2,4,6-trimethylbenzenesulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L066-0004
N-(4-fluorophenyl)-5-[1-(2,4,6-trimethylbenzenesulfonyl)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

L066-0004

Molecular Formula

C23H25FN4O3S2 (C23 H25 FN4 O3 S2)

Compound Name

N-(4-fluorophenyl)-5-[1-(2,4,6-trimethylbenzenesulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(4-fluorophenyl)-5-[1-(246-trimethylbenzenesulfonyl)piperidin-3-yl]-134-thiadiazole-2-carboxamide

SMILES

Cc(cc1C)cc(C)c1S(N(CCC1)CC1c1nnc(C(Nc(cc2)ccc2F)=O)s1)(=O)=O

InChI

InChI=1S/C23H25FN4O3S2/c1-14-11-15(2)20(16(3)12-14)33(30,31)28-10-4-5-17(13-28)22-26-27-23(32-22)21(29)25-19-8-6-18(24)7-9-19/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,25,29)/t17-/m0/s1

InChI Key

VFOIOKDTCXXRKN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27228574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.608

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.30

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

34.80

References: we are preparing a list of scientific research reports with L066-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L066-0004?
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What is the minimum amount of L066-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L066-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L066-0004
  • 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 L066-0004 available by request