C260-1445 Screening compound: 5-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide

C260-1445 Screening compound: 5-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
C260-1445 Screening compound: 5-{1-[(2-cyanophenyl)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 C260-1445
5-{1-[(2-cyanophenyl)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

C260-1445

Molecular Formula

C31H32N4O5 (C31 H32 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNC(CCCCN(C(c(cccc1)c1N1Cc(cccc2)c2C#N)=O)C1=O)=O)c1)c1OC

InChI

InChI=1S/C31H32N4O5/c1-39-27-15-14-22(19-28(27)40-2)16-17-33-29(36)13-7-8-18-34-30(37)25-11-5-6-12-26(25)35(31(34)38)21-24-10-4-3-9-23(24)20-32/h3-6,9-12,14-15,19H,7-8,13,16-18,21H2,1-2H3,(H,33,36)

InChI Key

AMKDQIHHHUATSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.730

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-3.45

Polar Surface Area

87.875

Acid Dissociation Constant (pKa)

14.38

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 C260-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1445?
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What is the minimum amount of C260-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1445
  • 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 C260-1445 available by request