V017-5349 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

V017-5349 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
V017-5349 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5349
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chloro-3-methylphenoxy)methyl]-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

V017-5349

Molecular Formula

C20H17ClN2O4S (C20 H17 ClN2 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[(4-chloro-3-methylphenoxy)methyl]-13-thiazole-4-carboxamide

SMILES

Cc(cc(cc1)OCc2nc(C(NCc(cc3)cc4c3OCO4)=O)cs2)c1Cl

InChI

InChI=1S/C20H17ClN2O4S/c1-12-6-14(3-4-15(12)21)25-9-19-23-16(10-28-19)20(24)22-8-13-2-5-17-18(7-13)27-11-26-17/h2-7,10H,8-9,11H2,1H3,(H,22,24)

InChI Key

IQPRYFZLMNQXBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19839442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.968

Distribution Coefficient, logD

4.968

Water Solubility, LogSw

-5.05

Polar Surface Area

59.496

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V017-5349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5349?
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What is the minimum amount of V017-5349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5349
  • 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 V017-5349 available by request