V003-0682 Screening compound: 1-(3,4-difluorobenzenesulfonyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane

V003-0682 Screening compound: 1-(3,4-difluorobenzenesulfonyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane
V003-0682 Screening compound: 1-(3,4-difluorobenzenesulfonyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0682
1-(3,4-difluorobenzenesulfonyl)-4-[6-(4-methoxyphenyl)-[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

V003-0682

Molecular Formula

C23H22F2N6O3S (C23 H22 F2 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(cnc1ncnn11)c1N(CCC1)CCN1S(c(cc1)cc(F)c1F)(=O)=O

InChI

InChI=1S/C23H22F2N6O3S/c1-34-17-5-3-16(4-6-17)19-14-26-23-27-15-28-31(23)22(19)29-9-2-10-30(12-11-29)35(32,33)18-7-8-20(24)21(25)13-18/h3-8,13-15H,2,9-12H2,1H3

InChI Key

ZEQNSXBCOWXONW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961016

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.746

Water Solubility, LogSw

-3.97

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

26.10

V003-0682 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V003-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0682?
Check Price and Availability of V003-0682, 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 V003-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0682
  • 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 V003-0682 available by request