D702-0203 Screening compound: N-butyl-2-{3-[(4-methylphenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide

D702-0203 Screening compound: N-butyl-2-{3-[(4-methylphenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide
D702-0203 Screening compound: N-butyl-2-{3-[(4-methylphenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D702-0203
N-butyl-2-{3-[(4-methylphenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-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

D702-0203

Molecular Formula

C18H23N3O3 (C18 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(CN(C(C=CN1Cc2ccc(C)cc2)=O)C1=O)=O

InChI

InChI=1S/C18H23N3O3/c1-3-4-10-19-16(22)13-21-17(23)9-11-20(18(21)24)12-15-7-5-14(2)6-8-15/h5-9,11H,3-4,10,12-13H2,1-2H3,(H,19,22)

InChI Key

ZWOVIBMXHQTSMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.614

Distribution Coefficient, logD

1.614

Water Solubility, LogSw

-2.15

Polar Surface Area

56.741

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D702-0203 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D702-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D702-0203?
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What is the minimum amount of D702-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D702-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D702-0203
  • 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 D702-0203 available by request