V027-5460 Screening compound: N-(butan-2-yl)-4-methoxy-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzene-1-sulfonamide

V027-5460 Screening compound: N-(butan-2-yl)-4-methoxy-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzene-1-sulfonamide
V027-5460 Screening compound: N-(butan-2-yl)-4-methoxy-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5460
N-(butan-2-yl)-4-methoxy-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzene-1-sulfonamide

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

V027-5460

Molecular Formula

C29H37N5O4S (C29 H37 N5 O4 S)

Compound Name

N-(butan-2-yl)-4-methoxy-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzene-1-sulfonamide

IUPAC name

N-(butan-2-yl)-4-methoxy-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)benzene-1-sulfonamide

SMILES

CCC(C)N(CC(N(CCC1)CCN1c(cc1)nnc1-c1ccc(C)cc1)=O)S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C29H37N5O4S/c1-5-23(3)34(39(36,37)26-13-11-25(38-4)12-14-26)21-29(35)33-18-6-17-32(19-20-33)28-16-15-27(30-31-28)24-9-7-22(2)8-10-24/h7-16,23H,5-6,17-21H2,1-4H3/t23-/m0/s1

InChI Key

WXEJTCXKNMPABW-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19828758

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

551.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.830

Distribution Coefficient, logD

4.796

Water Solubility, LogSw

-4.45

Polar Surface Area

80.443

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with V027-5460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5460?
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What is the minimum amount of V027-5460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5460
  • 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 V027-5460 available by request