V009-6845 Screening compound: 4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

V009-6845 Screening compound: 4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
V009-6845 Screening compound: 4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6845
4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

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

V009-6845

Molecular Formula

C28H32FN5O4 (C28 H32 FN5 O4)

Compound Name

4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

IUPAC name

4-(3-{[2-(34-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

SMILES

COc(ccc(CCNC(c1cccnc1N(CC1)CCN1C(NCc1cccc(F)c1)=O)=O)c1)c1OC

InChI

InChI=1S/C28H32FN5O4/c1-37-24-9-8-20(18-25(24)38-2)10-12-31-27(35)23-7-4-11-30-26(23)33-13-15-34(16-14-33)28(36)32-19-21-5-3-6-22(29)17-21/h3-9,11,17-18H,10,12-16,19H2,1-2H3,(H,31,35)(H,32,36)

InChI Key

SPTBSUJIMBUUEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946474

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.782

Distribution Coefficient, logD

2.781

Water Solubility, LogSw

-3.38

Polar Surface Area

78.787

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

V009-6845 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 V009-6845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6845?
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What is the minimum amount of V009-6845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6845
  • 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 V009-6845 available by request