C487-0301 Screening compound: methyl 2-{2-[3-(4-ethylphenyl)-2,4-dioxo-7-[(2-phenylethyl)carbamoyl]-1,2,3,4-tetrahydroquinazolin-1-yl]acetamido}benzoate

C487-0301 Screening compound: methyl 2-{2-[3-(4-ethylphenyl)-2,4-dioxo-7-[(2-phenylethyl)carbamoyl]-1,2,3,4-tetrahydroquinazolin-1-yl]acetamido}benzoate
C487-0301 Screening compound: methyl 2-{2-[3-(4-ethylphenyl)-2,4-dioxo-7-[(2-phenylethyl)carbamoyl]-1,2,3,4-tetrahydroquinazolin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0301
methyl 2-{2-[3-(4-ethylphenyl)-2,4-dioxo-7-[(2-phenylethyl)carbamoyl]-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

C487-0301

Molecular Formula

C35H32N4O6 (C35 H32 N4 O6)

Compound Name

methyl 2-{2-[3-(4-ethylphenyl)-2,4-dioxo-7-[(2-phenylethyl)carbamoyl]-1,2,3,4-tetrahydroquinazolin-1-yl]acetamido}benzoate

IUPAC name

methyl 2-{2-[3-(4-ethylphenyl)-24-dioxo-7-[(2-phenylethyl)carbamoyl]-1234-tetrahydroquinazolin-1-yl]acetamido}benzoate

SMILES

CCc(cc1)ccc1N(C(c(ccc(C(NCCc1ccccc1)=O)c1)c1N1CC(Nc(cccc2)c2C(OC)=O)=O)=O)C1=O

InChI

InChI=1S/C35H32N4O6/c1-3-23-13-16-26(17-14-23)39-33(42)28-18-15-25(32(41)36-20-19-24-9-5-4-6-10-24)21-30(28)38(35(39)44)22-31(40)37-29-12-8-7-11-27(29)34(43)45-2/h4-18,21H,3,19-20,22H2,1-2H3,(H,36,41)(H,37,40)

InChI Key

MFBWODZGAFLZMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.432

Distribution Coefficient, logD

4.422

Water Solubility, LogSw

-4.37

Polar Surface Area

98.536

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.10

C487-0301 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C487-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0301?
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What is the minimum amount of C487-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0301
  • 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 C487-0301 available by request