V018-0717 Screening compound: 2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-N-propyl-1,3-thiazole-4-carboxamide

V018-0717 Screening compound: 2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-N-propyl-1,3-thiazole-4-carboxamide
V018-0717 Screening compound: 2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-N-propyl-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0717
2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-N-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

V018-0717

Molecular Formula

C29H30FN3O2S (C29 H30 FN3 O2 S)

Compound Name

2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-N-propyl-1,3-thiazole-4-carboxamide

IUPAC name

2-[({[4-(benzyloxy)phenyl]methyl}[(4-fluorophenyl)methyl]amino)methyl]-N-propyl-13-thiazole-4-carboxamide

SMILES

CCCNC(c1csc(CN(Cc(cc2)ccc2OCc2ccccc2)Cc(cc2)ccc2F)n1)=O

InChI

InChI=1S/C29H30FN3O2S/c1-2-16-31-29(34)27-21-36-28(32-27)19-33(17-22-8-12-25(30)13-9-22)18-23-10-14-26(15-11-23)35-20-24-6-4-3-5-7-24/h3-15,21H,2,16-20H2,1H3,(H,31,34)

InChI Key

IIBLSOIZSQFEFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19761193

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.740

Distribution Coefficient, logD

5.740

Water Solubility, LogSw

-5.46

Polar Surface Area

45.933

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

V018-0717 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0717?
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What is the minimum amount of V018-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0717
  • 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 V018-0717 available by request