D583-0775 Screening compound: N-[(4-ethyl-5-{[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

D583-0775 Screening compound: N-[(4-ethyl-5-{[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
D583-0775 Screening compound: N-[(4-ethyl-5-{[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-0775
N-[(4-ethyl-5-{[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

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

D583-0775

Molecular Formula

C22H29N5O3S2 (C22 H29 N5 O3 S2)

Compound Name

N-[(4-ethyl-5-{[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

IUPAC name

N-[(4-ethyl-5-{[2-(1-ethyl-25-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4H-124-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

SMILES

CCn(c(C)c1)c(C)c1C(CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1CC)=O

InChI

InChI=1S/C22H29N5O3S2/c1-6-25-16(3)13-19(17(25)4)20(28)15-31-22-24-23-21(26(22)7-2)14-27(32(5,29)30)18-11-9-8-10-12-18/h8-13H,6-7,14-15H2,1-5H3

InChI Key

CCFHGPJIHPHFNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-3.23

Polar Surface Area

71.696

Acid Dissociation Constant (pKa)

17.62

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D583-0775 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D583-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-0775?
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What is the minimum amount of D583-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-0775
  • 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 D583-0775 available by request