3105-0012 Screening compound: N-(4-fluorophenyl)-2-{[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide

3105-0012 Screening compound: N-(4-fluorophenyl)-2-{[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
3105-0012 Screening compound: N-(4-fluorophenyl)-2-{[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3105-0012
N-(4-fluorophenyl)-2-{[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide

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

3105-0012

Molecular Formula

C18H14F2N4O2S3 (C18 H14 F2 N4 O2 S3)

Compound Name

N-(4-fluorophenyl)-2-{[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide

IUPAC name

N-(4-fluorophenyl)-2-{[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-124-thiadiazol-5-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nsc(SCC(Nc(cc2)ccc2F)=O)n1)Nc(cc1)ccc1F

InChI

InChI=1S/C18H14F2N4O2S3/c19-11-1-5-13(6-2-11)21-15(25)9-27-17-23-18(29-24-17)28-10-16(26)22-14-7-3-12(20)4-8-14/h1-8H,9-10H2,(H,21,25)(H,22,26)

InChI Key

USUDCMXSAMEYIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01799293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

4.367

Water Solubility, LogSw

-4.38

Polar Surface Area

64.895

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3105-0012 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 3105-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3105-0012?
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What is the minimum amount of 3105-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3105-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3105-0012
  • 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 3105-0012 available by request