C191-0419 Screening compound: N-benzyl-3-{1-[(cyclohexylcarbamoyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

C191-0419 Screening compound: N-benzyl-3-{1-[(cyclohexylcarbamoyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide
C191-0419 Screening compound: N-benzyl-3-{1-[(cyclohexylcarbamoyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0419
N-benzyl-3-{1-[(cyclohexylcarbamoyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

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

C191-0419

Molecular Formula

C28H34N4O6 (C28 H34 N4 O6)

Compound Name

N-benzyl-3-{1-[(cyclohexylcarbamoyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

IUPAC name

N-benzyl-3-{1-[(cyclohexylcarbamoyl)methyl]-67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl}propanamide

SMILES

COc(c(OC)c1)cc(C(N2CCC(NCc3ccccc3)=O)=O)c1N(CC(NC1CCCCC1)=O)C2=O

InChI

InChI=1S/C28H34N4O6/c1-37-23-15-21-22(16-24(23)38-2)32(18-26(34)30-20-11-7-4-8-12-20)28(36)31(27(21)35)14-13-25(33)29-17-19-9-5-3-6-10-19/h3,5-6,9-10,15-16,20H,4,7-8,11-14,17-18H2,1-2H3,(H,29,33)(H,30,34)

InChI Key

UDXWBFNSWWDPKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.095

Distribution Coefficient, logD

3.095

Water Solubility, LogSw

-3.53

Polar Surface Area

95.174

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with C191-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0419?
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What is the minimum amount of C191-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0419
  • 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 C191-0419 available by request