V027-5270 Screening compound: 1,3-dibenzyl-N-(2-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

V027-5270 Screening compound: 1,3-dibenzyl-N-(2-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
V027-5270 Screening compound: 1,3-dibenzyl-N-(2-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5270
1,3-dibenzyl-N-(2-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

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

V027-5270

Molecular Formula

C28H29FN4OS (C28 H29 FN4 OS)

Compound Name

1,3-dibenzyl-N-(2-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

IUPAC name

13-dibenzyl-N-(2-fluorophenyl)-2-oxo-148-triazaspiro[4.5]decane-8-carbothioamide

SMILES

O=C1N(Cc2ccccc2)C(CC2)(CCN2C(Nc(cccc2)c2F)=S)NC1Cc1ccccc1

InChI

InChI=1S/C28H29FN4OS/c29-23-13-7-8-14-24(23)30-27(35)32-17-15-28(16-18-32)31-25(19-21-9-3-1-4-10-21)26(34)33(28)20-22-11-5-2-6-12-22/h1-14,25,31H,15-20H2,(H,30,35)/t25-/m1/s1

InChI Key

AVEGPTWNXYSKIA-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19817040

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.077

Distribution Coefficient, logD

5.052

Water Solubility, LogSw

-4.89

Polar Surface Area

38.601

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V027-5270 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 V027-5270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5270?
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What is the minimum amount of V027-5270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5270
  • 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 V027-5270 available by request