D583-0720 Screening compound: N-(2,5-dimethylphenyl)-2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

D583-0720 Screening compound: N-(2,5-dimethylphenyl)-2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
D583-0720 Screening compound: N-(2,5-dimethylphenyl)-2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-0720
N-(2,5-dimethylphenyl)-2-({4-ethyl-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

D583-0720

Molecular Formula

C22H27N5O3S2 (C22 H27 N5 O3 S2)

Compound Name

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

IUPAC name

N-(25-dimethylphenyl)-2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

CCn1c(SCC(Nc2c(C)ccc(C)c2)=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C22H27N5O3S2/c1-5-26-20(14-27(32(4,29)30)18-9-7-6-8-10-18)24-25-22(26)31-15-21(28)23-19-13-16(2)11-12-17(19)3/h6-13H,5,14-15H2,1-4H3,(H,23,28)

InChI Key

KZXOHIVYXOWVHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.486

Distribution Coefficient, logD

2.486

Water Solubility, LogSw

-2.88

Polar Surface Area

78.983

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D583-0720 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D583-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-0720?
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What is the minimum amount of D583-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-0720
  • 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 D583-0720 available by request