D702-0407 Screening compound: 2-{3-[(4-chlorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}-N-(propan-2-yl)acetamide

D702-0407 Screening compound: 2-{3-[(4-chlorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}-N-(propan-2-yl)acetamide
D702-0407 Screening compound: 2-{3-[(4-chlorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D702-0407
2-{3-[(4-chlorophenyl)methyl]-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

D702-0407

Molecular Formula

C16H18ClN3O3 (C16 H18 ClN3 O3)

Compound Name

2-{3-[(4-chlorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}-N-(propan-2-yl)acetamide

IUPAC name

2-{3-[(4-chlorophenyl)methyl]-26-dioxo-1236-tetrahydropyrimidin-1-yl}-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CN(C(C=CN1Cc(cc2)ccc2Cl)=O)C1=O)=O

InChI

InChI=1S/C16H18ClN3O3/c1-11(2)18-14(21)10-20-15(22)7-8-19(16(20)23)9-12-3-5-13(17)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,18,21)

InChI Key

RPLXPTYYTIPRPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.79

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

1.217

Distribution Coefficient, logD

1.217

Water Solubility, LogSw

-2.54

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

D702-0407 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D702-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D702-0407?
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What is the minimum amount of D702-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D702-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D702-0407
  • 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 D702-0407 available by request