L062-0056 Screening compound: N-(4-fluorophenyl)-5-[({[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-1,3,4-thiadiazole-2-carboxamide

L062-0056 Screening compound: N-(4-fluorophenyl)-5-[({[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-1,3,4-thiadiazole-2-carboxamide
L062-0056 Screening compound: N-(4-fluorophenyl)-5-[({[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L062-0056
N-(4-fluorophenyl)-5-[({[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-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

L062-0056

Molecular Formula

C18H13F4N5O2S (C18 H13 F4 N5 O2 S)

Compound Name

N-(4-fluorophenyl)-5-[({[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(4-fluorophenyl)-5-[({[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(CNC(Nc2cc(C(F)(F)F)ccc2)=O)s1)Nc(cc1)ccc1F

InChI

InChI=1S/C18H13F4N5O2S/c19-11-4-6-12(7-5-11)24-15(28)16-27-26-14(30-16)9-23-17(29)25-13-3-1-2-10(8-13)18(20,21)22/h1-8H,9H2,(H,24,28)(H2,23,25,29)

InChI Key

BPEJLTQMSOCLKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.926

Water Solubility, LogSw

-4.19

Polar Surface Area

80.954

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

L062-0056 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L062-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L062-0056?
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What is the minimum amount of L062-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L062-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L062-0056
  • 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 L062-0056 available by request