L063-0042 Screening compound: 5-[(5-bromothiophene-2-sulfonamido)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

L063-0042 Screening compound: 5-[(5-bromothiophene-2-sulfonamido)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
L063-0042 Screening compound: 5-[(5-bromothiophene-2-sulfonamido)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L063-0042
5-[(5-bromothiophene-2-sulfonamido)methyl]-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

L063-0042

Molecular Formula

C14H10BrFN4O3S3 (C14 H10 BrFN4 O3 S3)

Compound Name

5-[(5-bromothiophene-2-sulfonamido)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[(5-bromothiophene-2-sulfonamido)methyl]-N-(4-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(CNS(c(s2)ccc2Br)(=O)=O)s1)Nc(cc1)ccc1F

InChI

InChI=1S/C14H10BrFN4O3S3/c15-10-5-6-12(24-10)26(22,23)17-7-11-19-20-14(25-11)13(21)18-9-3-1-8(16)2-4-9/h1-6,17H,7H2,(H,18,21)

InChI Key

AOXYITIPIODSBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27228146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.206

Distribution Coefficient, logD

2.893

Water Solubility, LogSw

-3.60

Polar Surface Area

90.106

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

L063-0042 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L063-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L063-0042?
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What is the minimum amount of L063-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L063-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L063-0042
  • 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 L063-0042 available by request