C260-1454 Screening compound: 5-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide

C260-1454 Screening compound: 5-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
C260-1454 Screening compound: 5-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1454
5-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]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

C260-1454

Molecular Formula

C31H33ClN4O6 (C31 H33 ClN4 O6)

Compound Name

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

IUPAC name

5-(1-{[(3-chlorophenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-[2-(34-dimethoxyphenyl)ethyl]pentanamide

SMILES

COc(ccc(CCNC(CCCCN(C(c(cccc1)c1N1CC(Nc2cccc(Cl)c2)=O)=O)C1=O)=O)c1)c1OC

InChI

InChI=1S/C31H33ClN4O6/c1-41-26-14-13-21(18-27(26)42-2)15-16-33-28(37)12-5-6-17-35-30(39)24-10-3-4-11-25(24)36(31(35)40)20-29(38)34-23-9-7-8-22(32)19-23/h3-4,7-11,13-14,18-19H,5-6,12,15-17,20H2,1-2H3,(H,33,37)(H,34,38)

InChI Key

SMEOZLRTWMZHQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.08

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.224

Water Solubility, LogSw

-3.67

Polar Surface Area

93.968

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with C260-1454 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C260-1454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1454
  • 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 C260-1454 available by request