V007-9996 Screening compound: 1-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-{[2-hydroxy-3-(propan-2-yloxy)propyl](propyl)amino}ethan-1-one

V007-9996 Screening compound: 1-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-{[2-hydroxy-3-(propan-2-yloxy)propyl](propyl)amino}ethan-1-one
V007-9996 Screening compound: 1-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-{[2-hydroxy-3-(propan-2-yloxy)propyl](propyl)amino}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-9996
1-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-{[2-hydroxy-3-(propan-2-yloxy)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

V007-9996

Molecular Formula

C25H35ClN2O4S (C25 H35 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CC(COC(C)C)O)CC(N(CC1)C(COc(cc2)ccc2Cl)c2c1scc2)=O

InChI

InChI=1S/C25H35ClN2O4S/c1-4-11-27(14-20(29)16-31-18(2)3)15-25(30)28-12-9-24-22(10-13-33-24)23(28)17-32-21-7-5-19(26)6-8-21/h5-8,10,13,18,20,23,29H,4,9,11-12,14-17H2,1-3H3

InChI Key

KQUFLCPGNJAUER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19882377

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.08

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.592

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-4.42

Polar Surface Area

51.939

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.00

References: we are preparing a list of scientific research reports with V007-9996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-9996?
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What is the minimum amount of V007-9996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-9996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-9996
  • 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 V007-9996 available by request