V009-5461 Screening compound: N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide

V009-5461 Screening compound: N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
V009-5461 Screening compound: N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5461
N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-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

V009-5461

Molecular Formula

C27H27FN2O5S (C27 H27 FN2 O5 S)

Compound Name

N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(2-{4-[(2-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-N-(propan-2-yl)-2H-13-benzodioxole-5-carboxamide

SMILES

CC(C)N(CC(N(CC1)C(COc(cccc2)c2F)c2c1scc2)=O)C(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C27H27FN2O5S/c1-17(2)30(27(32)18-7-8-23-24(13-18)35-16-34-23)14-26(31)29-11-9-25-19(10-12-36-25)21(29)15-33-22-6-4-3-5-20(22)28/h3-8,10,12-13,17,21H,9,11,14-16H2,1-2H3/t21-/m0/s1

InChI Key

HUQKFUVSKSKERL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19866561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.981

Distribution Coefficient, logD

4.981

Water Solubility, LogSw

-4.65

Polar Surface Area

57.232

Acid Dissociation Constant (pKa)

22.83

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V009-5461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5461?
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What is the minimum amount of V009-5461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5461
  • 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 V009-5461 available by request