V004-1412 Screening compound: N~1~-{4-methoxy-3-[3-(3-methylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2-phenylacetamide

V004-1412 Screening compound: N~1~-{4-methoxy-3-[3-(3-methylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2-phenylacetamide
V004-1412 Screening compound: N~1~-{4-methoxy-3-[3-(3-methylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1412
N~1~-{4-methoxy-3-[3-(3-methylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2-phenylacetamide

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

V004-1412

Molecular Formula

C27H29N3O3 (C27 H29 N3 O3)

Compound Name

N~1~-{4-methoxy-3-[3-(3-methylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2-phenylacetamide

IUPAC name

N-(4-methoxy-3-{3-[(3-methylphenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-2-phenylacetamide

SMILES

Cc1cccc(CN(CCCN2c(cc(cc3)NC(Cc4ccccc4)=O)c3OC)C2=O)c1

InChI

InChI=1S/C27H29N3O3/c1-20-8-6-11-22(16-20)19-29-14-7-15-30(27(29)32)24-18-23(12-13-25(24)33-2)28-26(31)17-21-9-4-3-5-10-21/h3-6,8-13,16,18H,7,14-15,17,19H2,1-2H3,(H,28,31)

InChI Key

WNASWZZEURKIQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19931747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.777

Distribution Coefficient, logD

4.777

Water Solubility, LogSw

-4.54

Polar Surface Area

50.004

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.93

References: we are preparing a list of scientific research reports with V004-1412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1412?
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What is the minimum amount of V004-1412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1412
  • 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 V004-1412 available by request