V018-5837 Screening compound: N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(2-methoxyethyl)-2-methylbenzamide

V018-5837 Screening compound: N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(2-methoxyethyl)-2-methylbenzamide
V018-5837 Screening compound: N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(2-methoxyethyl)-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5837
N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(2-methoxyethyl)-2-methylbenzamide

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

V018-5837

Molecular Formula

C27H29FN2O4S (C27 H29 FN2 O4 S)

Compound Name

N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(2-methoxyethyl)-2-methylbenzamide

IUPAC name

N-(2-{4-[(2-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-N-(2-methoxyethyl)-2-methylbenzamide

SMILES

Cc(cccc1)c1C(N(CCOC)CC(N(CC1)C(COc(cccc2)c2F)c2c1scc2)=O)=O

InChI

InChI=1S/C27H29FN2O4S/c1-19-7-3-4-8-20(19)27(32)29(14-15-33-2)17-26(31)30-13-11-25-21(12-16-35-25)23(30)18-34-24-10-6-5-9-22(24)28/h3-10,12,16,23H,11,13-15,17-18H2,1-2H3/t23-/m0/s1

InChI Key

VHBZSQJTNYEZMZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19866541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.42

Polar Surface Area

48.694

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V018-5837 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V018-5837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5837
  • 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 V018-5837 available by request