C190-0309 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C190-0309 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C190-0309 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0309
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

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

C190-0309

Molecular Formula

C30H32FN5O3 (C30 H32 FN5 O3)

Compound Name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-24-dioxo-3-(2-phenylethyl)-1234-tetrahydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(NC(N2CCc3ccccc3)=O)c1C2=O)NCCCN(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C30H32FN5O3/c31-25-9-4-5-10-27(25)35-19-17-34(18-20-35)15-6-14-32-28(37)23-11-12-24-26(21-23)33-30(39)36(29(24)38)16-13-22-7-2-1-3-8-22/h1-5,7-12,21H,6,13-20H2,(H,32,37)(H,33,39)

InChI Key

XGKAFKDGGYKNCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.913

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-4.08

Polar Surface Area

71.655

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C190-0309 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C190-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0309?
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What is the minimum amount of C190-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0309
  • 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 C190-0309 available by request