A0015988 Screening compound: N-(3,4-dimethoxyphenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

A0015988 Screening compound: N-(3,4-dimethoxyphenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
A0015988 Screening compound: N-(3,4-dimethoxyphenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015988
N-(3,4-dimethoxyphenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

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

A0015988

Molecular Formula

C33H29N3O5S (C33 H29 N3 O5 S)

Compound Name

N-(3,4-dimethoxyphenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-(34-dimethoxyphenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-34-dihydroquinazoline-7-carboxamide

SMILES

COc(ccc(NC(c(cc1)cc(N=C(N2CCc3ccccc3)SCC(c3ccccc3)=O)c1C2=O)=O)c1)c1OC

InChI

InChI=1S/C33H29N3O5S/c1-40-29-16-14-25(20-30(29)41-2)34-31(38)24-13-15-26-27(19-24)35-33(42-21-28(37)23-11-7-4-8-12-23)36(32(26)39)18-17-22-9-5-3-6-10-22/h3-16,19-20H,17-18,21H2,1-2H3,(H,34,38)

InChI Key

CEGIEISDDXHMPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.974

Distribution Coefficient, logD

4.971

Water Solubility, LogSw

-4.58

Polar Surface Area

77.348

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

A0015988 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with A0015988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015988?
Check Price and Availability of A0015988, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of A0015988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015988
  • 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 A0015988 available by request