V030-3681 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-[(oxolan-2-yl)methyl]urea

V030-3681 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-[(oxolan-2-yl)methyl]urea
V030-3681 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-[(oxolan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3681
1-(3-chlorophenyl)-3-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-[(oxolan-2-yl)methyl]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

V030-3681

Molecular Formula

C30H34ClN3O4S (C30 H34 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(C)c1OCC(c1c(CC2)scc1)N2C(CN(CC1OCCC1)C(Nc1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C30H34ClN3O4S/c1-20-8-9-27(21(2)15-20)38-19-26-25-11-14-39-28(25)10-12-34(26)29(35)18-33(17-24-7-4-13-37-24)30(36)32-23-6-3-5-22(31)16-23/h3,5-6,8-9,11,14-16,24,26H,4,7,10,12-13,17-19H2,1-2H3,(H,32,36)

InChI Key

BONDZOQXOUDLRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.14

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.454

Distribution Coefficient, logD

6.454

Water Solubility, LogSw

-6.18

Polar Surface Area

57.576

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V030-3681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3681?
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What is the minimum amount of V030-3681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3681
  • 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 V030-3681 available by request