V012-5122 Screening compound: 1-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-{[2-hydroxy-3-(2-methylpropoxy)propyl](propyl)amino}ethan-1-one

V012-5122 Screening compound: 1-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-{[2-hydroxy-3-(2-methylpropoxy)propyl](propyl)amino}ethan-1-one
V012-5122 Screening compound: 1-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-{[2-hydroxy-3-(2-methylpropoxy)propyl](propyl)amino}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5122
1-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-{[2-hydroxy-3-(2-methylpropoxy)propyl](propyl)amino}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

V012-5122

Molecular Formula

C26H37FN2O4S (C26 H37 FN2 O4 S)

Compound Name

1-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-{[2-hydroxy-3-(2-methylpropoxy)propyl](propyl)amino}ethan-1-one

IUPAC name

1-{4-[(3-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-{[2-hydroxy-3-(2-methylpropoxy)propyl](propyl)amino}ethan-1-one

SMILES

CCCN(CC(COCC(C)C)O)CC(N(CC1)C(COc2cc(F)ccc2)c2c1scc2)=O

InChI

InChI=1S/C26H37FN2O4S/c1-4-10-28(14-21(30)17-32-16-19(2)3)15-26(31)29-11-8-25-23(9-12-34-25)24(29)18-33-22-7-5-6-20(27)13-22/h5-7,9,12-13,19,21,24,30H,4,8,10-11,14-18H2,1-3H3

InChI Key

QZRYXBNOHVKRHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19882529

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

492.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.27

Polar Surface Area

53.091

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.70

References: we are preparing a list of scientific research reports with V012-5122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5122?
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What is the minimum amount of V012-5122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5122
  • 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 V012-5122 available by request