V008-9333 Screening compound: 1-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-propylurea

V008-9333 Screening compound: 1-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-propylurea
V008-9333 Screening compound: 1-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9333
1-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-propylurea

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

V008-9333

Molecular Formula

C27H37N3O4S (C27 H37 N3 O4 S)

Compound Name

1-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-propylurea

IUPAC name

1-(2-{4-[(24-dimethylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-propylurea

SMILES

CCCNC(N(CC1OCCC1)CC(N(CC1)C(COc2c(C)cc(C)cc2)c2c1scc2)=O)=O

InChI

InChI=1S/C27H37N3O4S/c1-4-11-28-27(32)29(16-21-6-5-13-33-21)17-26(31)30-12-9-25-22(10-14-35-25)23(30)18-34-24-8-7-19(2)15-20(24)3/h7-8,10,14-15,21,23H,4-6,9,11-13,16-18H2,1-3H3,(H,28,32)

InChI Key

LQUQMYRZVBZBLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.037

Distribution Coefficient, logD

5.037

Water Solubility, LogSw

-4.62

Polar Surface Area

59.012

Acid Dissociation Constant (pKa)

17.04

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

V008-9333 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V008-9333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9333?
Check Price and Availability of V008-9333, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-9333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9333
  • 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 V008-9333 available by request