V030-1349 Screening compound: 1-(2-fluorophenyl)-4-[3-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

V030-1349 Screening compound: 1-(2-fluorophenyl)-4-[3-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine
V030-1349 Screening compound: 1-(2-fluorophenyl)-4-[3-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1349
1-(2-fluorophenyl)-4-[3-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

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

V030-1349

Molecular Formula

C32H29FN6O2S (C32 H29 FN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1-n1c(SCc2cc(C(N(CC3)CCN3c(cccc3)c3F)=O)ccc2)nnc1-c1cnccc1

InChI

InChI=1S/C32H29FN6O2S/c1-41-29-14-5-4-13-28(29)39-30(25-10-7-15-34-21-25)35-36-32(39)42-22-23-8-6-9-24(20-23)31(40)38-18-16-37(17-19-38)27-12-3-2-11-26(27)33/h2-15,20-21H,16-19,22H2,1H3

InChI Key

IHKLHGFSRKXVTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633783

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

580.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.342

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.21

Polar Surface Area

61.168

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with V030-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1349?
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What is the minimum amount of V030-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1349
  • 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 V030-1349 available by request