A0062090 Screening compound: N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide

A0062090 Screening compound: N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide
A0062090 Screening compound: N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062090
N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide

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

A0062090

Molecular Formula

C24H23FN6O5S2 (C24 H23 FN6 O5 S2)

Compound Name

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

IUPAC name

N-{[4-(4-fluorophenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}-345-trimethoxybenzamide

SMILES

COc1cc(C(NCc(n2-c(cc3)ccc3F)nnc2SCC(Nc2nccs2)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C24H23FN6O5S2/c1-34-17-10-14(11-18(35-2)21(17)36-3)22(33)27-12-19-29-30-24(31(19)16-6-4-15(25)5-7-16)38-13-20(32)28-23-26-8-9-37-23/h4-11H,12-13H2,1-3H3,(H,27,33)(H,26,28,32)

InChI Key

MKUJYZCQCZFVAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.570

Distribution Coefficient, logD

2.569

Water Solubility, LogSw

-3.11

Polar Surface Area

106.979

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with A0062090 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of A0062090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062090
  • 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 A0062090 available by request