V022-1772 Screening compound: 3-(butan-2-yl)-1-(4-methylphenyl)-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea

V022-1772 Screening compound: 3-(butan-2-yl)-1-(4-methylphenyl)-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea
V022-1772 Screening compound: 3-(butan-2-yl)-1-(4-methylphenyl)-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 V022-1772
3-(butan-2-yl)-1-(4-methylphenyl)-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

V022-1772

Molecular Formula

C31H39N3O3S (C31 H39 N3 O3 S)

Compound Name

3-(butan-2-yl)-1-(4-methylphenyl)-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

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

SMILES

CCC(C)N(CC(N(CC1)C(COc2ccc(C(C)C)cc2)c2c1scc2)=O)C(Nc1ccc(C)cc1)=O

InChI

InChI=1S/C31H39N3O3S/c1-6-23(5)34(31(36)32-25-11-7-22(4)8-12-25)19-30(35)33-17-15-29-27(16-18-38-29)28(33)20-37-26-13-9-24(10-14-26)21(2)3/h7-14,16,18,21,23,28H,6,15,17,19-20H2,1-5H3,(H,32,36)

InChI Key

RCVWXEVHBQROGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.74

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

7.369

Distribution Coefficient, logD

7.369

Water Solubility, LogSw

-5.65

Polar Surface Area

48.435

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.90

References: we are preparing a list of scientific research reports with V022-1772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-1772?
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What is the minimum amount of V022-1772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-1772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-1772
  • 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 V022-1772 available by request