V003-0680 Screening compound: 1-(2,4-difluorobenzenesulfonyl)-4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane

V003-0680 Screening compound: 1-(2,4-difluorobenzenesulfonyl)-4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane
V003-0680 Screening compound: 1-(2,4-difluorobenzenesulfonyl)-4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0680
1-(2,4-difluorobenzenesulfonyl)-4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-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

V003-0680

Molecular Formula

C24H24F2N6O4S (C24 H24 F2 N6 O4 S)

Compound Name

1-(2,4-difluorobenzenesulfonyl)-4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane

IUPAC name

1-(24-difluorobenzenesulfonyl)-4-[6-(34-dimethoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]-14-diazepane

SMILES

COc(ccc(-c(cnc1ncnn11)c1N(CCC1)CCN1S(c(ccc(F)c1)c1F)(=O)=O)c1)c1OC

InChI

InChI=1S/C24H24F2N6O4S/c1-35-20-6-4-16(12-21(20)36-2)18-14-27-24-28-15-29-32(24)23(18)30-8-3-9-31(11-10-30)37(33,34)22-7-5-17(25)13-19(22)26/h4-7,12-15H,3,8-11H2,1-2H3

InChI Key

RENJNUAOPHIWSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960969

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.014

Distribution Coefficient, logD

3.007

Water Solubility, LogSw

-3.29

Polar Surface Area

81.359

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V003-0680 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V003-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0680?
Check Price and Availability of V003-0680, 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 V003-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0680
  • 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 V003-0680 available by request