D583-1629 Screening compound: N-(1,3-benzothiazol-2-yl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

D583-1629 Screening compound: N-(1,3-benzothiazol-2-yl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
D583-1629 Screening compound: N-(1,3-benzothiazol-2-yl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-1629
N-(1,3-benzothiazol-2-yl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-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

D583-1629

Molecular Formula

C20H20N6O3S3 (C20 H20 N6 O3 S3)

Compound Name

N-(1,3-benzothiazol-2-yl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUPAC name

N-(13-benzothiazol-2-yl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

Cn1c(SCC(Nc2nc(cccc3)c3s2)=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C20H20N6O3S3/c1-25-17(12-26(32(2,28)29)14-8-4-3-5-9-14)23-24-20(25)30-13-18(27)22-19-21-15-10-6-7-11-16(15)31-19/h3-11H,12-13H2,1-2H3,(H,21,22,27)

InChI Key

YHVBXUOFKDMQMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-3.10

Polar Surface Area

90.527

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D583-1629 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D583-1629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-1629?
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What is the minimum amount of D583-1629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-1629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-1629
  • 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 D583-1629 available by request