V013-3812 Screening compound: N-[(3-fluorophenyl)methyl]-N-[4-({[2-(piperidin-1-yl)ethyl]carbamoyl}methyl)phenyl]furan-2-carboxamide

V013-3812 Screening compound: N-[(3-fluorophenyl)methyl]-N-[4-({[2-(piperidin-1-yl)ethyl]carbamoyl}methyl)phenyl]furan-2-carboxamide
V013-3812 Screening compound: N-[(3-fluorophenyl)methyl]-N-[4-({[2-(piperidin-1-yl)ethyl]carbamoyl}methyl)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-3812
N-[(3-fluorophenyl)methyl]-N-[4-({[2-(piperidin-1-yl)ethyl]carbamoyl}methyl)phenyl]furan-2-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

V013-3812

Molecular Formula

C27H30FN3O3 (C27 H30 FN3 O3)

Compound Name

N-[(3-fluorophenyl)methyl]-N-[4-({[2-(piperidin-1-yl)ethyl]carbamoyl}methyl)phenyl]furan-2-carboxamide

IUPAC name

N-[(3-fluorophenyl)methyl]-N-[4-({[2-(piperidin-1-yl)ethyl]carbamoyl}methyl)phenyl]furan-2-carboxamide

SMILES

O=C(Cc(cc1)ccc1N(Cc1cccc(F)c1)C(c1ccco1)=O)NCCN1CCCCC1

InChI

InChI=1S/C27H30FN3O3/c28-23-7-4-6-22(18-23)20-31(27(33)25-8-5-17-34-25)24-11-9-21(10-12-24)19-26(32)29-13-16-30-14-2-1-3-15-30/h4-12,17-18H,1-3,13-16,19-20H2,(H,29,32)

InChI Key

UVFWFJMXPWCMOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19910710

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.508

Distribution Coefficient, logD

1.715

Water Solubility, LogSw

-3.58

Polar Surface Area

52.192

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with V013-3812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3812?
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What is the minimum amount of V013-3812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3812
  • 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 V013-3812 available by request