V017-5458 Screening compound: 2-[(3,5-dimethylphenoxy)methyl]-N-(3-{[(4-methoxyphenyl)carbamoyl]amino}propyl)-1,3-thiazole-4-carboxamide

V017-5458 Screening compound: 2-[(3,5-dimethylphenoxy)methyl]-N-(3-{[(4-methoxyphenyl)carbamoyl]amino}propyl)-1,3-thiazole-4-carboxamide
V017-5458 Screening compound: 2-[(3,5-dimethylphenoxy)methyl]-N-(3-{[(4-methoxyphenyl)carbamoyl]amino}propyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5458
2-[(3,5-dimethylphenoxy)methyl]-N-(3-{[(4-methoxyphenyl)carbamoyl]amino}propyl)-1,3-thiazole-4-carboxamide

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

V017-5458

Molecular Formula

C24H28N4O4S (C24 H28 N4 O4 S)

Compound Name

2-[(3,5-dimethylphenoxy)methyl]-N-(3-{[(4-methoxyphenyl)carbamoyl]amino}propyl)-1,3-thiazole-4-carboxamide

IUPAC name

2-[(35-dimethylphenoxy)methyl]-N-(3-{[(4-methoxyphenyl)carbamoyl]amino}propyl)-13-thiazole-4-carboxamide

SMILES

Cc1cc(OCc2nc(C(NCCCNC(Nc(cc3)ccc3OC)=O)=O)cs2)cc(C)c1

InChI

InChI=1S/C24H28N4O4S/c1-16-11-17(2)13-20(12-16)32-14-22-28-21(15-33-22)23(29)25-9-4-10-26-24(30)27-18-5-7-19(31-3)8-6-18/h5-8,11-13,15H,4,9-10,14H2,1-3H3,(H,25,29)(H2,26,27,30)

InChI Key

HFZONTCVXWMWEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19968537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.33

Polar Surface Area

83.504

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with V017-5458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5458?
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What is the minimum amount of V017-5458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5458
  • 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 V017-5458 available by request