D580-0640 Screening compound: 2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

D580-0640 Screening compound: 2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
D580-0640 Screening compound: 2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-0640
2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

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

D580-0640

Molecular Formula

C18H21FN6O3S3 (C18 H21 FN6 O3 S3)

Compound Name

2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

IUPAC name

2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-124-triazol-3-yl)sulfanyl]-N-(13-thiazol-2-yl)propanamide

SMILES

CCn1c(SC(C)C(Nc2nccs2)=O)nnc1CN(c(cc1)ccc1F)S(C)(=O)=O

InChI

InChI=1S/C18H21FN6O3S3/c1-4-24-15(11-25(31(3,27)28)14-7-5-13(19)6-8-14)22-23-18(24)30-12(2)16(26)21-17-20-9-10-29-17/h5-10,12H,4,11H2,1-3H3,(H,20,21,26)/t12-/m0/s1

InChI Key

XQXDNUZBVGEOPY-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27593922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.372

Distribution Coefficient, logD

2.371

Water Solubility, LogSw

-2.94

Polar Surface Area

90.372

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D580-0640 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D580-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-0640?
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What is the minimum amount of D580-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-0640
  • 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 D580-0640 available by request