V018-2301 Screening compound: 2-[cyclopropyl(3-ethoxy-2-hydroxypropyl)amino]-1-{4-[(3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one

V018-2301 Screening compound: 2-[cyclopropyl(3-ethoxy-2-hydroxypropyl)amino]-1-{4-[(3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
V018-2301 Screening compound: 2-[cyclopropyl(3-ethoxy-2-hydroxypropyl)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 V018-2301
2-[cyclopropyl(3-ethoxy-2-hydroxypropyl)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

V018-2301

Molecular Formula

C25H34N2O4S (C25 H34 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCC(CN(CC(N(CC1)C(COc2cc(C)ccc2)c2c1scc2)=O)C1CC1)O

InChI

InChI=1S/C25H34N2O4S/c1-3-30-16-20(28)14-26(19-7-8-19)15-25(29)27-11-9-24-22(10-12-32-24)23(27)17-31-21-6-4-5-18(2)13-21/h4-6,10,12-13,19-20,23,28H,3,7-9,11,14-17H2,1-2H3

InChI Key

CQSMESSISMEVHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19882475

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.62

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

3.847

Distribution Coefficient, logD

3.846

Water Solubility, LogSw

-3.82

Polar Surface Area

51.933

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.00

References: we are preparing a list of scientific research reports with V018-2301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-2301?
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What is the minimum amount of V018-2301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-2301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-2301
  • 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 V018-2301 available by request