V021-0762 Screening compound: N-(butan-2-yl)-N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide

V021-0762 Screening compound: N-(butan-2-yl)-N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
V021-0762 Screening compound: N-(butan-2-yl)-N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0762
N-(butan-2-yl)-N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide

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

V021-0762

Molecular Formula

C28H29FN2O5S (C28 H29 FN2 O5 S)

Compound Name

N-(butan-2-yl)-N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(butan-2-yl)-N-(2-{4-[(3-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-2H-13-benzodioxole-5-carboxamide

SMILES

CCC(C)N(CC(N(CC1)C(COc2cc(F)ccc2)c2c1scc2)=O)C(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C28H29FN2O5S/c1-3-18(2)31(28(33)19-7-8-24-25(13-19)36-17-35-24)15-27(32)30-11-9-26-22(10-12-37-26)23(30)16-34-21-6-4-5-20(29)14-21/h4-8,10,12-14,18,23H,3,9,11,15-17H2,1-2H3

InChI Key

ZFTXKCAVIZXTBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19866760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.391

Distribution Coefficient, logD

5.391

Water Solubility, LogSw

-5.47

Polar Surface Area

56.730

Acid Dissociation Constant (pKa)

22.80

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V021-0762 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V021-0762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0762
  • 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 V021-0762 available by request