V022-0849 Screening compound: 1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-ethyl-1-(1-phenylethyl)urea

V022-0849 Screening compound: 1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-ethyl-1-(1-phenylethyl)urea
V022-0849 Screening compound: 1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-ethyl-1-(1-phenylethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0849
1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-ethyl-1-(1-phenylethyl)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

V022-0849

Molecular Formula

C30H38N6O4 (C30 H38 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C30H38N6O4/c1-5-31-30(38)36(22(2)23-10-7-6-8-11-23)21-29(37)35-17-9-16-34(18-19-35)28-15-14-26(32-33-28)25-13-12-24(39-3)20-27(25)40-4/h6-8,10-15,20,22H,5,9,16-19,21H2,1-4H3,(H,31,38)/t22-/m0/s1

InChI Key

DYACBKPDLCEAHI-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19833196

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.861

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-3.94

Polar Surface Area

81.675

Acid Dissociation Constant (pKa)

17.32

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V022-0849 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 V022-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0849?
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What is the minimum amount of V022-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0849
  • 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 V022-0849 available by request