7489-2081 Screening compound: N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

7489-2081 Screening compound: N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
7489-2081 Screening compound: N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7489-2081
N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

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

7489-2081

Molecular Formula

C19H15ClN4O3S2 (C19 H15 ClN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(c(cccc1)c1O1)C1=O)Nc1nnc(SCc(cccc2)c2Cl)s1

InChI

InChI=1S/C19H15ClN4O3S2/c20-13-6-2-1-5-12(13)11-28-18-23-22-17(29-18)21-16(25)9-10-24-14-7-3-4-8-15(14)27-19(24)26/h1-8H,9-11H2,(H,21,22,25)

InChI Key

TXWUJIHORUDQJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06625302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.659

Water Solubility, LogSw

-4.92

Polar Surface Area

68.829

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

7489-2081 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7489-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7489-2081?
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What is the minimum amount of 7489-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7489-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7489-2081
  • 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 7489-2081 available by request