V004-1153 Screening compound: N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V004-1153 Screening compound: N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V004-1153 Screening compound: N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1153
N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

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

V004-1153

Molecular Formula

C29H37N3O5 (C29 H37 N3 O5)

Compound Name

N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

N-benzyl-8-(33-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

CC(C)(C)CC(N(CC1)CCC11OCC(C(NCc2ccccc2)=O)N1C(c1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C29H37N3O5/c1-28(2,3)18-25(33)31-15-13-29(14-16-31)32(27(35)22-11-8-12-23(17-22)36-4)24(20-37-29)26(34)30-19-21-9-6-5-7-10-21/h5-12,17,24H,13-16,18-20H2,1-4H3,(H,30,34)/t24-/m0/s1

InChI Key

ZZTLBNRSWYEROR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19811987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.46

Polar Surface Area

71.283

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.30

V004-1153 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 V004-1153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1153?
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What is the minimum amount of V004-1153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1153
  • 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 V004-1153 available by request