C260-1582 Screening compound: ethyl 2-(2-{2,4-dioxo-3-[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

C260-1582 Screening compound: ethyl 2-(2-{2,4-dioxo-3-[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate
C260-1582 Screening compound: ethyl 2-(2-{2,4-dioxo-3-[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1582
ethyl 2-(2-{2,4-dioxo-3-[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

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

C260-1582

Molecular Formula

C32H32N4O6 (C32 H32 N4 O6)

Compound Name

ethyl 2-(2-{2,4-dioxo-3-[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{24-dioxo-3-[4-oxo-4-(1234-tetrahydroisoquinolin-2-yl)butyl]-1234-tetrahydroquinazolin-1-yl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(c(cccc1)c1C(N1CCCC(N(CC2)Cc3c2cccc3)=O)=O)C1=O)=O)=O

InChI

InChI=1S/C32H32N4O6/c1-2-42-31(40)24-12-5-7-14-26(24)33-28(37)21-36-27-15-8-6-13-25(27)30(39)35(32(36)41)18-9-16-29(38)34-19-17-22-10-3-4-11-23(22)20-34/h3-8,10-15H,2,9,16-21H2,1H3,(H,33,37)

InChI Key

SXNUMMNKKVKBKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.61

Polar Surface Area

90.505

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

C260-1582 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C260-1582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1582?
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What is the minimum amount of C260-1582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1582
  • 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 C260-1582 available by request