V008-0029 Screening compound: 2-[(2-hydroxypropyl)(3-methoxypropyl)amino]-1-{4-[(3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one

V008-0029 Screening compound: 2-[(2-hydroxypropyl)(3-methoxypropyl)amino]-1-{4-[(3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
V008-0029 Screening compound: 2-[(2-hydroxypropyl)(3-methoxypropyl)amino]-1-{4-[(3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0029
2-[(2-hydroxypropyl)(3-methoxypropyl)amino]-1-{4-[(3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one

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

V008-0029

Molecular Formula

C24H34N2O4S (C24 H34 N2 O4 S)

Compound Name

2-[(2-hydroxypropyl)(3-methoxypropyl)amino]-1-{4-[(3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one

IUPAC name

2-[(2-hydroxypropyl)(3-methoxypropyl)amino]-1-{4-[(3-methylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}ethan-1-one

SMILES

CC(CN(CCCOC)CC(N(CC1)C(COc2cc(C)ccc2)c2c1scc2)=O)O

InChI

InChI=1S/C24H34N2O4S/c1-18-6-4-7-20(14-18)30-17-22-21-9-13-31-23(21)8-11-26(22)24(28)16-25(15-19(2)27)10-5-12-29-3/h4,6-7,9,13-14,19,22,27H,5,8,10-12,15-17H2,1-3H3

InChI Key

ACBRHOSXKLKMMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19882256

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

446.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-3.21

Polar Surface Area

52.857

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.20

References: we are preparing a list of scientific research reports with V008-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0029?
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What is the minimum amount of V008-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0029
  • 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 V008-0029 available by request