D583-1622 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

D583-1622 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
D583-1622 Screening compound: N-(5-methyl-1,3,4-thiadiazol-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 D583-1622
N-(5-methyl-1,3,4-thiadiazol-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

D583-1622

Molecular Formula

C16H19N7O3S3 (C16 H19 N7 O3 S3)

Compound Name

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

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

Cc1nnc(NC(CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)=O)s1

InChI

InChI=1S/C16H19N7O3S3/c1-11-18-20-15(28-11)17-14(24)10-27-16-21-19-13(22(16)2)9-23(29(3,25)26)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,17,20,24)

InChI Key

NXFNXLHSVNCLNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.657

Distribution Coefficient, logD

0.607

Water Solubility, LogSw

-2.33

Polar Surface Area

104.117

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D583-1622 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D583-1622 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D583-1622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-1622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-1622
  • 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 D583-1622 available by request