D702-0104 Screening compound: 2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)-N-(propan-2-yl)acetamide

D702-0104 Screening compound: 2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)-N-(propan-2-yl)acetamide
D702-0104 Screening compound: 2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D702-0104
2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)-N-(propan-2-yl)acetamide

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

D702-0104

Molecular Formula

C16H19N3O3 (C16 H19 N3 O3)

Compound Name

2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)-N-(propan-2-yl)acetamide

IUPAC name

2-(3-benzyl-26-dioxo-1236-tetrahydropyrimidin-1-yl)-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CN(C(C=CN1Cc2ccccc2)=O)C1=O)=O

InChI

InChI=1S/C16H19N3O3/c1-12(2)17-14(20)11-19-15(21)8-9-18(16(19)22)10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,17,20)

InChI Key

AMHMRDJXDZHRFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.622

Distribution Coefficient, logD

0.622

Water Solubility, LogSw

-1.65

Polar Surface Area

55.873

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with D702-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D702-0104?
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What is the minimum amount of D702-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D702-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D702-0104
  • 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 D702-0104 available by request