C260-1043 Screening compound: N-(1-benzylpiperidin-4-yl)-3-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

C260-1043 Screening compound: N-(1-benzylpiperidin-4-yl)-3-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide
C260-1043 Screening compound: N-(1-benzylpiperidin-4-yl)-3-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1043
N-(1-benzylpiperidin-4-yl)-3-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

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

C260-1043

Molecular Formula

C30H31FN4O3 (C30 H31 FN4 O3)

Compound Name

N-(1-benzylpiperidin-4-yl)-3-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-3-{1-[(4-fluorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}propanamide

SMILES

O=C(CCN(C(c(cccc1)c1N1Cc(cc2)ccc2F)=O)C1=O)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C30H31FN4O3/c31-24-12-10-23(11-13-24)21-35-27-9-5-4-8-26(27)29(37)34(30(35)38)19-16-28(36)32-25-14-17-33(18-15-25)20-22-6-2-1-3-7-22/h1-13,25H,14-21H2,(H,32,36)

InChI Key

XDTVYGLEAGGOOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

2.231

Water Solubility, LogSw

-4.12

Polar Surface Area

58.982

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C260-1043 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C260-1043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1043?
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What is the minimum amount of C260-1043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1043
  • 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 C260-1043 available by request