V012-2591 Screening compound: 1-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2,3,5,6-tetramethylbenzenesulfonyl)-1,4-diazepane

V012-2591 Screening compound: 1-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2,3,5,6-tetramethylbenzenesulfonyl)-1,4-diazepane
V012-2591 Screening compound: 1-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2,3,5,6-tetramethylbenzenesulfonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-2591
1-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(2,3,5,6-tetramethylbenzenesulfonyl)-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

V012-2591

Molecular Formula

C28H34N6O4S (C28 H34 N6 O4 S)

Compound Name

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

IUPAC name

1-[6-(34-dimethoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]-4-(2356-tetramethylbenzenesulfonyl)-14-diazepane

SMILES

Cc1c(C)c(S(N(CCC2)CCN2c(n2ncnc2nc2)c2-c(cc2)cc(OC)c2OC)(=O)=O)c(C)c(C)c1

InChI

InChI=1S/C28H34N6O4S/c1-18-14-19(2)21(4)26(20(18)3)39(35,36)33-11-7-10-32(12-13-33)27-23(16-29-28-30-17-31-34(27)28)22-8-9-24(37-5)25(15-22)38-6/h8-9,14-17H,7,10-13H2,1-6H3

InChI Key

LNUMLDHXKZSHCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961037

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

550.68

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

4.606

Distribution Coefficient, logD

4.598

Water Solubility, LogSw

-4.22

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

39.30

V012-2591 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 V012-2591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-2591?
Check Price and Availability of V012-2591, 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 V012-2591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-2591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-2591
  • 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 V012-2591 available by request