V002-5252 Screening compound: 8-(2-methylbenzoyl)-4-(4-methylbenzoyl)-N-(1-phenylethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V002-5252 Screening compound: 8-(2-methylbenzoyl)-4-(4-methylbenzoyl)-N-(1-phenylethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V002-5252 Screening compound: 8-(2-methylbenzoyl)-4-(4-methylbenzoyl)-N-(1-phenylethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5252
8-(2-methylbenzoyl)-4-(4-methylbenzoyl)-N-(1-phenylethyl)-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

V002-5252

Molecular Formula

C32H35N3O4 (C32 H35 N3 O4)

Compound Name

8-(2-methylbenzoyl)-4-(4-methylbenzoyl)-N-(1-phenylethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

8-(2-methylbenzoyl)-4-(4-methylbenzoyl)-N-(1-phenylethyl)-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

CC(c1ccccc1)NC(C(COC1(CC2)CCN2C(c2c(C)cccc2)=O)N1C(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C32H35N3O4/c1-22-13-15-26(16-14-22)30(37)35-28(29(36)33-24(3)25-10-5-4-6-11-25)21-39-32(35)17-19-34(20-18-32)31(38)27-12-8-7-9-23(27)2/h4-16,24,28H,17-21H2,1-3H3,(H,33,36)

InChI Key

FHPHGZKNRQCYTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19814092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.001

Distribution Coefficient, logD

4.001

Water Solubility, LogSw

-4.20

Polar Surface Area

63.158

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.40

References: we are preparing a list of scientific research reports with V002-5252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5252?
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What is the minimum amount of V002-5252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5252
  • 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 V002-5252 available by request