V013-4381 Screening compound: 2-methoxy-N-(3-methylbutyl)-N-{2-oxo-2-[4-(phenoxymethyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethyl}acetamide

V013-4381 Screening compound: 2-methoxy-N-(3-methylbutyl)-N-{2-oxo-2-[4-(phenoxymethyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethyl}acetamide
V013-4381 Screening compound: 2-methoxy-N-(3-methylbutyl)-N-{2-oxo-2-[4-(phenoxymethyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4381
2-methoxy-N-(3-methylbutyl)-N-{2-oxo-2-[4-(phenoxymethyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethyl}acetamide

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

V013-4381

Molecular Formula

C24H32N2O4S (C24 H32 N2 O4 S)

Compound Name

2-methoxy-N-(3-methylbutyl)-N-{2-oxo-2-[4-(phenoxymethyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethyl}acetamide

IUPAC name

2-methoxy-N-(3-methylbutyl)-N-{2-oxo-2-[4-(phenoxymethyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]ethyl}acetamide

SMILES

CC(C)CCN(CC(N(CC1)C(COc2ccccc2)c2c1scc2)=O)C(COC)=O

InChI

InChI=1S/C24H32N2O4S/c1-18(2)9-12-25(24(28)17-29-3)15-23(27)26-13-10-22-20(11-14-31-22)21(26)16-30-19-7-5-4-6-8-19/h4-8,11,14,18,21H,9-10,12-13,15-17H2,1-3H3/t21-/m0/s1

InChI Key

MKMKOVMFWWJUSR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19866266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-3.81

Polar Surface Area

48.433

Acid Dissociation Constant (pKa)

21.82

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V013-4381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4381?
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What is the minimum amount of V013-4381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4381
  • 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 V013-4381 available by request