L077-0264 Screening compound: N-(2-fluorophenyl)-4-{5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carboxamide

L077-0264 Screening compound: N-(2-fluorophenyl)-4-{5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carboxamide
L077-0264 Screening compound: N-(2-fluorophenyl)-4-{5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L077-0264
N-(2-fluorophenyl)-4-{5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}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

L077-0264

Molecular Formula

C21H19F2N5O2S (C21 H19 F2 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nnc(C(CC2)CCN2C(Nc(cccc2)c2F)=O)s1)Nc(cc1)ccc1F

InChI

InChI=1S/C21H19F2N5O2S/c22-14-5-7-15(8-6-14)24-18(29)20-27-26-19(31-20)13-9-11-28(12-10-13)21(30)25-17-4-2-1-3-16(17)23/h1-8,13H,9-12H2,(H,24,29)(H,25,30)

InChI Key

KEFXJMQFPAKUQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

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

3.680

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.91

Polar Surface Area

71.333

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L077-0264 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L077-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L077-0264?
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What is the minimum amount of L077-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L077-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L077-0264
  • 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 L077-0264 available by request