C487-0384 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{[(4-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0384 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{[(4-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0384 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{[(4-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0384
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{[(4-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-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

C487-0384

Molecular Formula

C31H29FN4O6 (C31 H29 FN4 O6)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{[(4-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{[(4-fluorophenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

O=C(CN(c(cc(cc1)C(NC2CCCCC2)=O)c1C(N1Cc(cc2)cc3c2OCO3)=O)C1=O)Nc(cc1)ccc1F

InChI

InChI=1S/C31H29FN4O6/c32-21-8-10-23(11-9-21)33-28(37)17-35-25-15-20(29(38)34-22-4-2-1-3-5-22)7-12-24(25)30(39)36(31(35)40)16-19-6-13-26-27(14-19)42-18-41-26/h6-15,22H,1-5,16-18H2,(H,33,37)(H,34,38)

InChI Key

WRRKGZXULIELIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.894

Distribution Coefficient, logD

4.894

Water Solubility, LogSw

-4.80

Polar Surface Area

95.670

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with C487-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0384?
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What is the minimum amount of C487-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0384
  • 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 C487-0384 available by request