V030-3084 Screening compound: 2-{[3-(benzyloxy)-2-hydroxypropyl](propan-2-yl)amino}-1-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one

V030-3084 Screening compound: 2-{[3-(benzyloxy)-2-hydroxypropyl](propan-2-yl)amino}-1-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
V030-3084 Screening compound: 2-{[3-(benzyloxy)-2-hydroxypropyl](propan-2-yl)amino}-1-{4-[(4-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3084
2-{[3-(benzyloxy)-2-hydroxypropyl](propan-2-yl)amino}-1-{4-[(4-fluorophenoxy)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

V030-3084

Molecular Formula

C29H35FN2O4S (C29 H35 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(CC(COCc1ccccc1)O)CC(N(CC1)C(COc(cc2)ccc2F)c2c1scc2)=O

InChI

InChI=1S/C29H35FN2O4S/c1-21(2)31(16-24(33)19-35-18-22-6-4-3-5-7-22)17-29(34)32-14-12-28-26(13-15-37-28)27(32)20-36-25-10-8-23(30)9-11-25/h3-11,13,15,21,24,27,33H,12,14,16-20H2,1-2H3

InChI Key

OLCSTFRJRVNCAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19882562

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.67

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

4.743

Distribution Coefficient, logD

4.732

Water Solubility, LogSw

-4.40

Polar Surface Area

52.476

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.40

V030-3084 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V030-3084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3084?
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What is the minimum amount of V030-3084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3084
  • 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 V030-3084 available by request