V030-8826 Screening compound: 1-{4-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate

V030-8826 Screening compound: 1-{4-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate
V030-8826 Screening compound: 1-{4-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-8826
1-{4-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate

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

V030-8826

Molecular Formula

C21H31N3O7S (C21 H31 N3 O7 S)

Compound Name

1-{4-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate

IUPAC name

1-{4-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate

SMILES

CC(C)(C(N(CC1)CCN1c(cc(cc1)S(N2CCOCC2)(=O)=O)c1OC)=O)OC(C)=O

InChI

InChI=1S/C21H31N3O7S/c1-16(25)31-21(2,3)20(26)23-9-7-22(8-10-23)18-15-17(5-6-19(18)29-4)32(27,28)24-11-13-30-14-12-24/h5-6,15H,7-14H2,1-4H3

InChI Key

JIEQMBPXEUIWLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950228

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.299

Distribution Coefficient, logD

1.299

Water Solubility, LogSw

-2.41

Polar Surface Area

87.319

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

V030-8826 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-8826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-8826?
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What is the minimum amount of V030-8826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-8826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-8826
  • 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 V030-8826 available by request