V018-5836 Screening compound: 3-chloro-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(propan-2-yl)benzamide

V018-5836 Screening compound: 3-chloro-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(propan-2-yl)benzamide
V018-5836 Screening compound: 3-chloro-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5836
3-chloro-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(propan-2-yl)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

V018-5836

Molecular Formula

C26H26ClFN2O3S (C26 H26 ClFN2 O3 S)

Compound Name

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

IUPAC name

3-chloro-N-(2-{4-[(2-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-N-(propan-2-yl)benzamide

SMILES

CC(C)N(CC(N(CC1)C(COc(cccc2)c2F)c2c1scc2)=O)C(c1cccc(Cl)c1)=O

InChI

InChI=1S/C26H26ClFN2O3S/c1-17(2)30(26(32)18-6-5-7-19(27)14-18)15-25(31)29-12-10-24-20(11-13-34-24)22(29)16-33-23-9-4-3-8-21(23)28/h3-9,11,13-14,17,22H,10,12,15-16H2,1-2H3/t22-/m0/s1

InChI Key

TYAKCGHDLNDZAZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19866562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.721

Distribution Coefficient, logD

5.721

Water Solubility, LogSw

-5.88

Polar Surface Area

40.117

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

V018-5836 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 V018-5836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5836?
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What is the minimum amount of V018-5836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5836
  • 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 V018-5836 available by request