V003-6590 Screening compound: 1-butyl-1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea

V003-6590 Screening compound: 1-butyl-1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea
V003-6590 Screening compound: 1-butyl-1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6590
1-butyl-1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea

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

V003-6590

Molecular Formula

C26H38N6O3 (C26 H38 N6 O3)

Compound Name

1-butyl-1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea

IUPAC name

1-butyl-1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-3-propylurea

SMILES

CCCCN(CC(N(CCC1)CCN1c(cc1)nnc1-c(cc1)ccc1OC)=O)C(NCCC)=O

InChI

InChI=1S/C26H38N6O3/c1-4-6-15-32(26(34)27-14-5-2)20-25(33)31-17-7-16-30(18-19-31)24-13-12-23(28-29-24)21-8-10-22(35-3)11-9-21/h8-13H,4-7,14-20H2,1-3H3,(H,27,34)

InChI Key

VGDISSRHGOZFAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19839926

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.972

Water Solubility, LogSw

-3.89

Polar Surface Area

75.146

Acid Dissociation Constant (pKa)

17.04

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

V003-6590 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 V003-6590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6590?
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What is the minimum amount of V003-6590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6590
  • 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 V003-6590 available by request