C597-0692 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

C597-0692 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
C597-0692 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0692
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

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

C597-0692

Molecular Formula

C23H26FN5O5S (C23 H26 FN5 O5 S)

Compound Name

N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N13-trimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

CN(CC(N(CC1)CCN1c(cccc1)c1F)=O)S(c(cc1)cc(C(N2C)=O)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C23H26FN5O5S/c1-25(15-21(30)29-12-10-28(11-13-29)20-7-5-4-6-18(20)24)35(33,34)16-8-9-19-17(14-16)22(31)27(3)23(32)26(19)2/h4-9,14H,10-13,15H2,1-3H3

InChI Key

KFVBYFICQRGWHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.722

Distribution Coefficient, logD

1.722

Water Solubility, LogSw

-2.89

Polar Surface Area

83.257

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C597-0692 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C597-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C597-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0692
  • 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 C597-0692 available by request