V013-9764 Screening compound: 4-{2H,4H-chromeno[4,3-c]pyrazol-3-yl}-N-[2-(4-fluorophenyl)ethyl]benzamide

V013-9764 Screening compound: 4-{2H,4H-chromeno[4,3-c]pyrazol-3-yl}-N-[2-(4-fluorophenyl)ethyl]benzamide
V013-9764 Screening compound: 4-{2H,4H-chromeno[4,3-c]pyrazol-3-yl}-N-[2-(4-fluorophenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9764
4-{2H,4H-chromeno[4,3-c]pyrazol-3-yl}-N-[2-(4-fluorophenyl)ethyl]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

V013-9764

Molecular Formula

C25H20FN3O2 (C25 H20 FN3 O2)

Compound Name

4-{2H,4H-chromeno[4,3-c]pyrazol-3-yl}-N-[2-(4-fluorophenyl)ethyl]benzamide

IUPAC name

4-{2H4H-chromeno[43-c]pyrazol-3-yl}-N-[2-(4-fluorophenyl)ethyl]benzamide

SMILES

O=C(c(cc1)ccc1-c1c(COc2c-3cccc2)c3n[nH]1)NCCc(cc1)ccc1F

InChI

InChI=1S/C25H20FN3O2/c26-19-11-5-16(6-12-19)13-14-27-25(30)18-9-7-17(8-10-18)23-21-15-31-22-4-2-1-3-20(22)24(21)29-28-23/h1-12H,13-15H2,(H,27,30)(H,28,29)

InChI Key

JRLYKUVTUKKFNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19954257

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.48

Polar Surface Area

56.713

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

V013-9764 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-9764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9764?
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What is the minimum amount of V013-9764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9764
  • 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 V013-9764 available by request