V021-9884 Screening compound: 3-fluoro-N-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide

V021-9884 Screening compound: 3-fluoro-N-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
V021-9884 Screening compound: 3-fluoro-N-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9884
3-fluoro-N-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(prop-2-en-1-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

V021-9884

Molecular Formula

C26H24F2N2O3S (C26 H24 F2 N2 O3 S)

Compound Name

3-fluoro-N-(2-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide

IUPAC name

3-fluoro-N-(2-{4-[(4-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide

SMILES

C=CCN(CC(N(CC1)C(COc(cc2)ccc2F)c2c1scc2)=O)C(c1cc(F)ccc1)=O

InChI

InChI=1S/C26H24F2N2O3S/c1-2-12-29(26(32)18-4-3-5-20(28)15-18)16-25(31)30-13-10-24-22(11-14-34-24)23(30)17-33-21-8-6-19(27)7-9-21/h2-9,11,14-15,23H,1,10,12-13,16-17H2/t23-/m0/s1

InChI Key

GZGPJZUTSLVYKG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19867144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.574

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.51

Polar Surface Area

40.265

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

V021-9884 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-9884 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V021-9884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9884
  • 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 V021-9884 available by request