C200-6631 Screening compound: N-cyclohexyl-5-(1-{[(2,4-difluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

C200-6631 Screening compound: N-cyclohexyl-5-(1-{[(2,4-difluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide
C200-6631 Screening compound: N-cyclohexyl-5-(1-{[(2,4-difluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6631
N-cyclohexyl-5-(1-{[(2,4-difluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

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

C200-6631

Molecular Formula

C27H30F2N4O4 (C27 H30 F2 N4 O4)

Compound Name

N-cyclohexyl-5-(1-{[(2,4-difluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

IUPAC name

N-cyclohexyl-5-(1-{[(24-difluorophenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)pentanamide

SMILES

O=C(CCCCN(C(c(cccc1)c1N1CC(Nc(ccc(F)c2)c2F)=O)=O)C1=O)NC1CCCCC1

InChI

InChI=1S/C27H30F2N4O4/c28-18-13-14-22(21(29)16-18)31-25(35)17-33-23-11-5-4-10-20(23)26(36)32(27(33)37)15-7-6-12-24(34)30-19-8-2-1-3-9-19/h4-5,10-11,13-14,16,19H,1-3,6-9,12,15,17H2,(H,30,34)(H,31,35)

InChI Key

KFNYSNJSICRWPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.439

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.92

Polar Surface Area

77.894

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with C200-6631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6631?
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What is the minimum amount of C200-6631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6631
  • 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 C200-6631 available by request