D532-0270 Screening compound: N-[(5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide

D532-0270 Screening compound: N-[(5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
D532-0270 Screening compound: N-[(5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D532-0270
N-[(5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide

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

D532-0270

Molecular Formula

C23H24FN5O3S2 (C23 H24 FN5 O3 S2)

Compound Name

N-[(5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide

IUPAC name

N-[(5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-124-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide

SMILES

CCn1c(cccc2)c2c(C(CSc2nnc(CN(c(cc3)ccc3F)S(C)(=O)=O)n2C)=O)c1

InChI

InChI=1S/C23H24FN5O3S2/c1-4-28-13-19(18-7-5-6-8-20(18)28)21(30)15-33-23-26-25-22(27(23)2)14-29(34(3,31)32)17-11-9-16(24)10-12-17/h5-13H,4,14-15H2,1-3H3

InChI Key

ZITLEBOUHJUVHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-3.21

Polar Surface Area

72.592

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D532-0270 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D532-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D532-0270?
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What is the minimum amount of D532-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D532-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D532-0270
  • 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 D532-0270 available by request