D702-0780 Screening compound: N-cyclopropyl-2-{3-[(3-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide

D702-0780 Screening compound: N-cyclopropyl-2-{3-[(3-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide
D702-0780 Screening compound: N-cyclopropyl-2-{3-[(3-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D702-0780
N-cyclopropyl-2-{3-[(3-fluorophenyl)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

D702-0780

Molecular Formula

C16H16FN3O3 (C16 H16 FN3 O3)

Compound Name

N-cyclopropyl-2-{3-[(3-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide

IUPAC name

N-cyclopropyl-2-{3-[(3-fluorophenyl)methyl]-26-dioxo-1236-tetrahydropyrimidin-1-yl}acetamide

SMILES

O=C(CN(C(C=CN1Cc2cccc(F)c2)=O)C1=O)NC1CC1

InChI

InChI=1S/C16H16FN3O3/c17-12-3-1-2-11(8-12)9-19-7-6-15(22)20(16(19)23)10-14(21)18-13-4-5-13/h1-3,6-8,13H,4-5,9-10H2,(H,18,21)

InChI Key

JGMMTUWVMCGYNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.32

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

0.552

Distribution Coefficient, logD

0.552

Water Solubility, LogSw

-1.76

Polar Surface Area

56.684

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D702-0780 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 D702-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D702-0780?
Check Price and Availability of D702-0780, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D702-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D702-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D702-0780
  • 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 D702-0780 available by request