L077-0403 Screening compound: 4-{5-[(3-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(3-methylphenyl)piperidine-1-carboxamide

L077-0403 Screening compound: 4-{5-[(3-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(3-methylphenyl)piperidine-1-carboxamide
L077-0403 Screening compound: 4-{5-[(3-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(3-methylphenyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L077-0403
4-{5-[(3-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(3-methylphenyl)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

L077-0403

Molecular Formula

C22H22FN5O2S (C22 H22 FN5 O2 S)

Compound Name

4-{5-[(3-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(3-methylphenyl)piperidine-1-carboxamide

IUPAC name

4-{5-[(3-fluorophenyl)carbamoyl]-134-thiadiazol-2-yl}-N-(3-methylphenyl)piperidine-1-carboxamide

SMILES

Cc1cccc(NC(N(CC2)CCC2c2nnc(C(Nc3cc(F)ccc3)=O)s2)=O)c1

InChI

InChI=1S/C22H22FN5O2S/c1-14-4-2-6-17(12-14)25-22(30)28-10-8-15(9-11-28)20-26-27-21(31-20)19(29)24-18-7-3-5-16(23)13-18/h2-7,12-13,15H,8-11H2,1H3,(H,24,29)(H,25,30)

InChI Key

RRMGSVJPGIBLMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.985

Water Solubility, LogSw

-4.00

Polar Surface Area

72.031

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with L077-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L077-0403?
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What is the minimum amount of L077-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L077-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L077-0403
  • 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 L077-0403 available by request