C190-0398 Screening compound: 4-(6-bromo-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}butanamide

C190-0398 Screening compound: 4-(6-bromo-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}butanamide
C190-0398 Screening compound: 4-(6-bromo-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C190-0398
4-(6-bromo-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(4-methoxyphenyl)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

C190-0398

Molecular Formula

C26H32BrN5O4 (C26 H32 BrN5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N1CCN(CCCNC(CCCN(C(c(cc(cc2)Br)c2N2)=O)C2=O)=O)CC1

InChI

InChI=1S/C26H32BrN5O4/c1-36-21-8-6-20(7-9-21)31-16-14-30(15-17-31)12-3-11-28-24(33)4-2-13-32-25(34)22-18-19(27)5-10-23(22)29-26(32)35/h5-10,18H,2-4,11-17H2,1H3,(H,28,33)(H,29,35)

InChI Key

QNDXRPIXSKKUGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.693

Distribution Coefficient, logD

2.107

Water Solubility, LogSw

-3.31

Polar Surface Area

79.558

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C190-0398 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C190-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0398?
Check Price and Availability of C190-0398, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C190-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0398
  • 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 C190-0398 available by request