V013-6520 Screening compound: 3,5-difluoro-N-(3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1H-indol-5-yl)benzamide

V013-6520 Screening compound: 3,5-difluoro-N-(3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1H-indol-5-yl)benzamide
V013-6520 Screening compound: 3,5-difluoro-N-(3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1H-indol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6520
3,5-difluoro-N-(3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1H-indol-5-yl)benzamide

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

V013-6520

Molecular Formula

C28H28F2N4O2 (C28 H28 F2 N4 O2)

Compound Name

3,5-difluoro-N-(3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1H-indol-5-yl)benzamide

IUPAC name

35-difluoro-N-(3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1H-indol-5-yl)benzamide

SMILES

COc(cc1)ccc1N1CCN(CCc2c[nH]c(cc3)c2cc3NC(c2cc(F)cc(F)c2)=O)CC1

InChI

InChI=1S/C28H28F2N4O2/c1-36-25-5-3-24(4-6-25)34-12-10-33(11-13-34)9-8-19-18-31-27-7-2-23(17-26(19)27)32-28(35)20-14-21(29)16-22(30)15-20/h2-7,14-18,31H,8-13H2,1H3,(H,32,35)

InChI Key

KYGGFFONOAYIOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964887

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

490.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.192

Distribution Coefficient, logD

4.973

Water Solubility, LogSw

-5.24

Polar Surface Area

47.715

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V013-6520 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V013-6520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6520?
Check Price and Availability of V013-6520, 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 V013-6520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6520
  • 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 V013-6520 available by request