V022-0895 Screening compound: N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide

V022-0895 Screening compound: N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide
V022-0895 Screening compound: N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0895
N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-ethyl-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

V022-0895

Molecular Formula

C28H30N2O5S (C28 H30 N2 O5 S)

Compound Name

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

IUPAC name

N-(2-{4-[(24-dimethylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-N-ethyl-2H-13-benzodioxole-5-carboxamide

SMILES

CCN(CC(N(CC1)C(COc2c(C)cc(C)cc2)c2c1scc2)=O)C(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C28H30N2O5S/c1-4-29(28(32)20-6-8-24-25(14-20)35-17-34-24)15-27(31)30-11-9-26-21(10-12-36-26)22(30)16-33-23-7-5-18(2)13-19(23)3/h5-8,10,12-14,22H,4,9,11,15-17H2,1-3H3/t22-/m0/s1

InChI Key

WEXWEJGIPNDRHE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19865982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.387

Distribution Coefficient, logD

5.387

Water Solubility, LogSw

-5.43

Polar Surface Area

57.213

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V022-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0895?
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What is the minimum amount of V022-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0895
  • 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 V022-0895 available by request