V009-2008 Screening compound: 1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-(1-phenylethyl)-3-(propan-2-yl)thiourea

V009-2008 Screening compound: 1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-(1-phenylethyl)-3-(propan-2-yl)thiourea
V009-2008 Screening compound: 1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-(1-phenylethyl)-3-(propan-2-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-2008
1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-(1-phenylethyl)-3-(propan-2-yl)thiourea

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

V009-2008

Molecular Formula

C31H40N6O3S (C31 H40 N6 O3 S)

Compound Name

1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-(1-phenylethyl)-3-(propan-2-yl)thiourea

IUPAC name

1-(2-{4-[6-(24-dimethoxyphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-1-(1-phenylethyl)-3-(propan-2-yl)thiourea

SMILES

CC(C)NC(N(CC(N(CCC1)CCN1c(cc1)nnc1-c(ccc(OC)c1)c1OC)=O)C(C)c1ccccc1)=S

InChI

InChI=1S/C31H40N6O3S/c1-22(2)32-31(41)37(23(3)24-10-7-6-8-11-24)21-30(38)36-17-9-16-35(18-19-36)29-15-14-27(33-34-29)26-13-12-25(39-4)20-28(26)40-5/h6-8,10-15,20,22-23H,9,16-19,21H2,1-5H3,(H,32,41)/t23-/m0/s1

InChI Key

RPADYWGVASPGDL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19833036

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

576.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.789

Water Solubility, LogSw

-4.54

Polar Surface Area

66.453

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.90

References: we are preparing a list of scientific research reports with V009-2008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-2008?
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What is the minimum amount of V009-2008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-2008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-2008
  • 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 V009-2008 available by request