8017-6852 Screening compound: N~1~-(2,4-difluorophenyl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide

8017-6852 Screening compound: N~1~-(2,4-difluorophenyl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
8017-6852 Screening compound: N~1~-(2,4-difluorophenyl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6852
N~1~-(2,4-difluorophenyl)-2-{[3-(methylsulfanyl)-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

8017-6852

Molecular Formula

C11H9F2N3OS3 (C11 H9 F2 N3 OS3)

Compound Name

N~1~-(2,4-difluorophenyl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide

IUPAC name

N-(24-difluorophenyl)-2-{[3-(methylsulfanyl)-124-thiadiazol-5-yl]sulfanyl}acetamide

SMILES

CSc1nsc(SCC(Nc(ccc(F)c2)c2F)=O)n1

InChI

InChI=1S/C11H9F2N3OS3/c1-18-10-15-11(20-16-10)19-5-9(17)14-8-3-2-6(12)4-7(8)13/h2-4H,5H2,1H3,(H,14,17)

InChI Key

HDCITCNAAAPQFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.343

Distribution Coefficient, logD

3.335

Water Solubility, LogSw

-3.65

Polar Surface Area

41.320

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8017-6852 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-6852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6852?
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What is the minimum amount of 8017-6852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6852
  • 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 8017-6852 available by request