D583-0670 Screening compound: 2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)acetamide

D583-0670 Screening compound: 2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)acetamide
D583-0670 Screening compound: 2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-0670
2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-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

D583-0670

Molecular Formula

C20H21N7O4S2 (C20 H21 N7 O4 S2)

Compound Name

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

IUPAC name

2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-124-triazol-3-yl}sulfanyl)-N-(2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)acetamide

SMILES

Cn1c(SCC(Nc(cc2)cc(N3)c2NC3=O)=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C20H21N7O4S2/c1-26-17(11-27(33(2,30)31)14-6-4-3-5-7-14)24-25-20(26)32-12-18(28)21-13-8-9-15-16(10-13)23-19(29)22-15/h3-10H,11-12H2,1-2H3,(H,21,28)(H2,22,23,29)

InChI Key

FOZCIWMBNPCLHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.988

Distribution Coefficient, logD

0.988

Water Solubility, LogSw

-2.48

Polar Surface Area

116.493

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D583-0670 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D583-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-0670?
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What is the minimum amount of D583-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-0670
  • 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 D583-0670 available by request