V027-9750 Screening compound: 1-[2-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

V027-9750 Screening compound: 1-[2-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine
V027-9750 Screening compound: 1-[2-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9750
1-[2-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

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

V027-9750

Molecular Formula

C25H24FN5OS2 (C25 H24 FN5 OS2)

Compound Name

1-[2-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

IUPAC name

1-[2-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

SMILES

CN(CC1)CCN1C(c1c(CSc2nnc(-c3cccs3)n2-c(cccc2)c2F)cccc1)=O

InChI

InChI=1S/C25H24FN5OS2/c1-29-12-14-30(15-13-29)24(32)19-8-3-2-7-18(19)17-34-25-28-27-23(22-11-6-16-33-22)31(25)21-10-5-4-9-20(21)26/h2-11,16H,12-15,17H2,1H3

InChI Key

FQWHDSYGWOSPKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632461

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.151

Distribution Coefficient, logD

4.021

Water Solubility, LogSw

-4.25

Polar Surface Area

45.555

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V027-9750 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 V027-9750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9750?
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What is the minimum amount of V027-9750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9750
  • 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 V027-9750 available by request