C190-0393 Screening compound: 4-(6-bromo-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}butanamide

C190-0393 Screening compound: 4-(6-bromo-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}butanamide
C190-0393 Screening compound: 4-(6-bromo-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0393
4-(6-bromo-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}butanamide

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

C190-0393

Molecular Formula

C25H29BrClN5O3 (C25 H29 BrClN5 O3)

Compound Name

4-(6-bromo-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}butanamide

IUPAC name

4-(6-bromo-24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}butanamide

SMILES

O=C(CCCN(C(c(cc(cc1)Br)c1N1)=O)C1=O)NCCCN(CC1)CCN1c1cc(Cl)ccc1

InChI

InChI=1S/C25H29BrClN5O3/c26-18-7-8-22-21(16-18)24(34)32(25(35)29-22)11-2-6-23(33)28-9-3-10-30-12-14-31(15-13-30)20-5-1-4-19(27)17-20/h1,4-5,7-8,16-17H,2-3,6,9-15H2,(H,28,33)(H,29,35)

InChI Key

MTEIVXGVSBLLJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.89

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

3.173

Distribution Coefficient, logD

2.587

Water Solubility, LogSw

-3.76

Polar Surface Area

72.015

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C190-0393 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C190-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0393?
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What is the minimum amount of C190-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0393
  • 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 C190-0393 available by request