V027-5309 Screening compound: 1-butyl-1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea

V027-5309 Screening compound: 1-butyl-1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea
V027-5309 Screening compound: 1-butyl-1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5309
1-butyl-1-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)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

V027-5309

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-(propan-2-yl)urea

IUPAC name

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

SMILES

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

InChI

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

InChI Key

KILHTEBDZAOIAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19830915

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

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.854

Water Solubility, LogSw

-3.85

Polar Surface Area

74.279

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

V027-5309 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V027-5309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5309?
Check Price and Availability of V027-5309, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V027-5309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5309
  • 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 V027-5309 available by request