V009-0898 Screening compound: 1-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

V009-0898 Screening compound: 1-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea
V009-0898 Screening compound: 1-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0898
1-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

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

V009-0898

Molecular Formula

C26H35N3O5S (C26 H35 N3 O5 S)

Compound Name

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

IUPAC name

1-(2-{4-[(2-methoxyphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(CC1OCCC1)CC(N(CC1)C(COc(cccc2)c2OC)c2c1scc2)=O)=O

InChI

InChI=1S/C26H35N3O5S/c1-18(2)27-26(31)28(15-19-7-6-13-33-19)16-25(30)29-12-10-24-20(11-14-35-24)21(29)17-34-23-9-5-4-8-22(23)32-3/h4-5,8-9,11,14,18-19,21H,6-7,10,12-13,15-17H2,1-3H3,(H,27,31)

InChI Key

MDWRDSWSBKASPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-3.79

Polar Surface Area

65.775

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

V009-0898 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V009-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0898?
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What is the minimum amount of V009-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0898
  • 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 V009-0898 available by request