V018-8897 Screening compound: 3,3-dimethyl-N-[5-methyl-2-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]butanamide

V018-8897 Screening compound: 3,3-dimethyl-N-[5-methyl-2-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]butanamide
V018-8897 Screening compound: 3,3-dimethyl-N-[5-methyl-2-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-8897
3,3-dimethyl-N-[5-methyl-2-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]butanamide

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

V018-8897

Molecular Formula

C27H37N3O2 (C27 H37 N3 O2)

Compound Name

3,3-dimethyl-N-[5-methyl-2-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]butanamide

IUPAC name

33-dimethyl-N-[5-methyl-2-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-13-diazinan-1-yl)phenyl]butanamide

SMILES

CC(C)c1ccc(CN(CCCN2c(ccc(C)c3)c3NC(CC(C)(C)C)=O)C2=O)cc1

InChI

InChI=1S/C27H37N3O2/c1-19(2)22-11-9-21(10-12-22)18-29-14-7-15-30(26(29)32)24-13-8-20(3)16-23(24)28-25(31)17-27(4,5)6/h8-13,16,19H,7,14-15,17-18H2,1-6H3,(H,28,31)

InChI Key

HUGJXZGYOKYIAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.011

Distribution Coefficient, logD

6.011

Water Solubility, LogSw

-5.37

Polar Surface Area

41.948

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with V018-8897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-8897?
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What is the minimum amount of V018-8897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-8897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-8897
  • 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 V018-8897 available by request