V022-0695 Screening compound: 1-(3-chlorophenyl)-3-ethyl-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea

V022-0695 Screening compound: 1-(3-chlorophenyl)-3-ethyl-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea
V022-0695 Screening compound: 1-(3-chlorophenyl)-3-ethyl-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0695
1-(3-chlorophenyl)-3-ethyl-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-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

V022-0695

Molecular Formula

C28H32ClN3O3S (C28 H32 ClN3 O3 S)

Compound Name

1-(3-chlorophenyl)-3-ethyl-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea

IUPAC name

1-(3-chlorophenyl)-3-ethyl-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H5H6H7H-thieno[32-c]pyridin-5-yl)ethyl]urea

SMILES

CCN(CC(N(CC1)C(COc2ccc(C(C)C)cc2)c2c1scc2)=O)C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C28H32ClN3O3S/c1-4-31(28(34)30-22-7-5-6-21(29)16-22)17-27(33)32-14-12-26-24(13-15-36-26)25(32)18-35-23-10-8-20(9-11-23)19(2)3/h5-11,13,15-16,19,25H,4,12,14,17-18H2,1-3H3,(H,30,34)/t25-/m0/s1

InChI Key

WMQJQMDGRDNJHB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19867326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.1

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.790

Distribution Coefficient, logD

6.790

Water Solubility, LogSw

-6.51

Polar Surface Area

48.832

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V022-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0695?
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What is the minimum amount of V022-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0695
  • 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 V022-0695 available by request