V022-0660 Screening compound: 3-ethyl-1-(2-methylbutyl)-1-{2-oxo-2-[4-(phenoxymethyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethyl}urea

V022-0660 Screening compound: 3-ethyl-1-(2-methylbutyl)-1-{2-oxo-2-[4-(phenoxymethyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethyl}urea
V022-0660 Screening compound: 3-ethyl-1-(2-methylbutyl)-1-{2-oxo-2-[4-(phenoxymethyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0660
3-ethyl-1-(2-methylbutyl)-1-{2-oxo-2-[4-(phenoxymethyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethyl}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

V022-0660

Molecular Formula

C24H33N3O3S (C24 H33 N3 O3 S)

Compound Name

3-ethyl-1-(2-methylbutyl)-1-{2-oxo-2-[4-(phenoxymethyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]ethyl}urea

IUPAC name

3-ethyl-1-(2-methylbutyl)-1-{2-oxo-2-[4-(phenoxymethyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]ethyl}urea

SMILES

CCC(C)CN(CC(N(CC1)C(COc2ccccc2)c2c1scc2)=O)C(NCC)=O

InChI

InChI=1S/C24H33N3O3S/c1-4-18(3)15-26(24(29)25-5-2)16-23(28)27-13-11-22-20(12-14-31-22)21(27)17-30-19-9-7-6-8-10-19/h6-10,12,14,18,21H,4-5,11,13,15-17H2,1-3H3,(H,25,29)

InChI Key

SMIXXTIXGZPBRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.754

Distribution Coefficient, logD

4.754

Water Solubility, LogSw

-4.25

Polar Surface Area

50.327

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

V022-0660 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 V022-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0660?
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What is the minimum amount of V022-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0660
  • 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 V022-0660 available by request