C190-0308 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C190-0308 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C190-0308 Screening compound: N-{3-[4-(4-methoxyphenyl)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 C190-0308
N-{3-[4-(4-methoxyphenyl)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

C190-0308

Molecular Formula

C31H35N5O4 (C31 H35 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N1CCN(CCCNC(c(cc2)cc(NC(N3CCc4ccccc4)=O)c2C3=O)=O)CC1

InChI

InChI=1S/C31H35N5O4/c1-40-26-11-9-25(10-12-26)35-20-18-34(19-21-35)16-5-15-32-29(37)24-8-13-27-28(22-24)33-31(39)36(30(27)38)17-14-23-6-3-2-4-7-23/h2-4,6-13,22H,5,14-21H2,1H3,(H,32,37)(H,33,39)

InChI Key

NXJFKZJOMPHDIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.65

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

3.839

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.99

Polar Surface Area

79.500

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

C190-0308 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 C190-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C190-0308?
Check Price and Availability of C190-0308, 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 C190-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C190-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C190-0308
  • 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 C190-0308 available by request