7255-3859 Screening compound: N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide

7255-3859 Screening compound: N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide
7255-3859 Screening compound: N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7255-3859
N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)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

7255-3859

Molecular Formula

C18H13ClN4O2S3 (C18 H13 ClN4 O2 S3)

Compound Name

N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide

IUPAC name

N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-2-(2-oxo-23-dihydro-13-benzothiazol-3-yl)acetamide

SMILES

O=C(CN(c(cccc1)c1S1)C1=O)Nc1nnc(SCc(cccc2)c2Cl)s1

InChI

InChI=1S/C18H13ClN4O2S3/c19-12-6-2-1-5-11(12)10-26-17-22-21-16(28-17)20-15(24)9-23-13-7-3-4-8-14(13)27-18(23)25/h1-8H,9-10H2,(H,20,21,24)

InChI Key

UGHBWPONDLUMKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06758720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.126

Distribution Coefficient, logD

5.125

Water Solubility, LogSw

-5.56

Polar Surface Area

61.595

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

7255-3859 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 7255-3859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7255-3859?
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What is the minimum amount of 7255-3859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7255-3859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7255-3859
  • 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 7255-3859 available by request