V022-0331 Screening compound: 3-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methoxypropyl)benzamide

V022-0331 Screening compound: 3-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methoxypropyl)benzamide
V022-0331 Screening compound: 3-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methoxypropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0331
3-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methoxypropyl)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

V022-0331

Molecular Formula

C28H31FN2O5S (C28 H31 FN2 O5 S)

Compound Name

3-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methoxypropyl)benzamide

IUPAC name

3-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methoxypropyl)benzamide

SMILES

COCCCN(CC(N(CC1)C(COc2cc(OC)ccc2)c2c1scc2)=O)C(c1cc(F)ccc1)=O

InChI

InChI=1S/C28H31FN2O5S/c1-34-14-5-12-30(28(33)20-6-3-7-21(29)16-20)18-27(32)31-13-10-26-24(11-15-37-26)25(31)19-36-23-9-4-8-22(17-23)35-2/h3-4,6-9,11,15-17,25H,5,10,12-14,18-19H2,1-2H3/t25-/m0/s1

InChI Key

LKDWKBXRFDHWQV-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19865684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.302

Distribution Coefficient, logD

4.302

Water Solubility, LogSw

-4.31

Polar Surface Area

56.151

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V022-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0331?
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What is the minimum amount of V022-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0331
  • 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 V022-0331 available by request