V009-0258 Screening compound: 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[2-(trifluoromethyl)benzenesulfonyl]-1,4-diazepane

V009-0258 Screening compound: 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[2-(trifluoromethyl)benzenesulfonyl]-1,4-diazepane
V009-0258 Screening compound: 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[2-(trifluoromethyl)benzenesulfonyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0258
1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[2-(trifluoromethyl)benzenesulfonyl]-1,4-diazepane

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

V009-0258

Molecular Formula

C24H23F3N6O3S (C24 H23 F3 N6 O3 S)

Compound Name

1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-[2-(trifluoromethyl)benzenesulfonyl]-1,4-diazepane

IUPAC name

1-[6-(4-methoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]-4-[2-(trifluoromethyl)benzenesulfonyl]-14-diazepane

SMILES

COc(cc1)ccc1-c(cnc1ncnn11)c1N(CCC1)CCN1S(c1c(C(F)(F)F)cccc1)(=O)=O

InChI

InChI=1S/C24H23F3N6O3S/c1-36-18-9-7-17(8-10-18)19-15-28-23-29-16-30-33(23)22(19)31-11-4-12-32(14-13-31)37(34,35)21-6-3-2-5-20(21)24(25,26)27/h2-3,5-10,15-16H,4,11-14H2,1H3

InChI Key

BOJJWRQUQOHOAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960986

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.13

Polar Surface Area

73.642

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V009-0258 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0258?
Check Price and Availability of V009-0258, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V009-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0258
  • 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 V009-0258 available by request