D702-0786 Screening compound: N-(butan-2-yl)-2-{3-[(3-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide

D702-0786 Screening compound: N-(butan-2-yl)-2-{3-[(3-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetamide
D702-0786 Screening compound: N-(butan-2-yl)-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 D702-0786
N-(butan-2-yl)-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

D702-0786

Molecular Formula

C17H20FN3O3 (C17 H20 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(CN(C(C=CN1Cc2cccc(F)c2)=O)C1=O)=O

InChI

InChI=1S/C17H20FN3O3/c1-3-12(2)19-15(22)11-21-16(23)7-8-20(17(21)24)10-13-5-4-6-14(18)9-13/h4-9,12H,3,10-11H2,1-2H3,(H,19,22)/t12-/m0/s1

InChI Key

FPPNMSJXUIGZOX-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27596988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.132

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-2.01

Polar Surface Area

56.341

Acid Dissociation Constant (pKa)

16.33

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D702-0786 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 D702-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D702-0786?
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What is the minimum amount of D702-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D702-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D702-0786
  • 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 D702-0786 available by request