V021-0787 Screening compound: N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide

V021-0787 Screening compound: N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide
V021-0787 Screening compound: N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0787
N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methylbutyl)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

V021-0787

Molecular Formula

C28H31FN2O3S (C28 H31 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCN(CC(N(CC1)C(COc2cc(F)ccc2)c2c1scc2)=O)C(c1ccccc1)=O

InChI

InChI=1S/C28H31FN2O3S/c1-20(2)11-14-30(28(33)21-7-4-3-5-8-21)18-27(32)31-15-12-26-24(13-16-35-26)25(31)19-34-23-10-6-9-22(29)17-23/h3-10,13,16-17,20,25H,11-12,14-15,18-19H2,1-2H3/t25-/m0/s1

InChI Key

RHRJNFIGIRPXJS-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19979021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.593

Distribution Coefficient, logD

5.593

Water Solubility, LogSw

-5.51

Polar Surface Area

40.265

Acid Dissociation Constant (pKa)

22.75

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 V021-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V021-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0787
  • 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 V021-0787 available by request