V009-9971 Screening compound: 1-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(3-methyl-1-benzofuran-2-carbonyl)-1,4-diazepane

V009-9971 Screening compound: 1-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(3-methyl-1-benzofuran-2-carbonyl)-1,4-diazepane
V009-9971 Screening compound: 1-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(3-methyl-1-benzofuran-2-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9971
1-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-(3-methyl-1-benzofuran-2-carbonyl)-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

V009-9971

Molecular Formula

C28H28N6O4 (C28 H28 N6 O4)

Compound Name

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

IUPAC name

1-[6-(34-dimethoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]-4-(3-methyl-1-benzofuran-2-carbonyl)-14-diazepane

SMILES

Cc1c(C(N(CCC2)CCN2c(n2ncnc2nc2)c2-c(cc2)cc(OC)c2OC)=O)oc2c1cccc2

InChI

InChI=1S/C28H28N6O4/c1-18-20-7-4-5-8-22(20)38-25(18)27(35)33-12-6-11-32(13-14-33)26-21(16-29-28-30-17-31-34(26)28)19-9-10-23(36-2)24(15-19)37-3/h4-5,7-10,15-17H,6,11-14H2,1-3H3

InChI Key

YANNMLMEPMMXHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960864

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.125

Distribution Coefficient, logD

4.118

Water Solubility, LogSw

-4.06

Polar Surface Area

74.822

Acid Dissociation Constant (pKa)

25.17

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V009-9971 in Drug Discovery

Included in Screening Libraries

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 V009-9971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9971?
Check Price and Availability of V009-9971, 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 V009-9971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9971
  • 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 V009-9971 available by request