A0062295 Screening compound: 3-methoxy-N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0062295 Screening compound: 3-methoxy-N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0062295 Screening compound: 3-methoxy-N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062295
3-methoxy-N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide

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

A0062295

Molecular Formula

C23H19F3N6O3S2 (C23 H19 F3 N6 O3 S2)

Compound Name

3-methoxy-N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide

IUPAC name

3-methoxy-N-{[5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-124-triazol-3-yl]methyl}benzamide

SMILES

COc1cccc(C(NCc(n2-c3cc(C(F)(F)F)ccc3)nnc2SCC(Nc2nccs2)=O)=O)c1

InChI

InChI=1S/C23H19F3N6O3S2/c1-35-17-7-2-4-14(10-17)20(34)28-12-18-30-31-22(37-13-19(33)29-21-27-8-9-36-21)32(18)16-6-3-5-15(11-16)23(24,25)26/h2-11H,12-13H2,1H3,(H,28,34)(H,27,29,33)

InChI Key

KDGCHLPRBKCGHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-4.16

Polar Surface Area

91.545

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with A0062295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062295?
Check Price and Availability of A0062295, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of A0062295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062295
  • 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 A0062295 available by request