A0015902 Screening compound: N-benzyl-N-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

A0015902 Screening compound: N-benzyl-N-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
A0015902 Screening compound: N-benzyl-N-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015902
N-benzyl-N-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-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

A0015902

Molecular Formula

C32H28N4O4S (C32 H28 N4 O4 S)

Compound Name

N-benzyl-N-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-benzyl-N-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-34-dihydroquinazoline-7-carboxamide

SMILES

CN(Cc1ccccc1)C(c(cc1)cc(N=C(N2CCc3ccccc3)SCc3cc([N+]([O-])=O)ccc3)c1C2=O)=O

InChI

InChI=1S/C32H28N4O4S/c1-34(21-24-11-6-3-7-12-24)30(37)26-15-16-28-29(20-26)33-32(41-22-25-13-8-14-27(19-25)36(39)40)35(31(28)38)18-17-23-9-4-2-5-10-23/h2-16,19-20H,17-18,21-22H2,1H3

InChI Key

KFHPDZCEYOSMSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.686

Distribution Coefficient, logD

5.686

Water Solubility, LogSw

-5.37

Polar Surface Area

75.281

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

A0015902 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with A0015902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015902?
Check Price and Availability of A0015902, 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 A0015902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015902
  • 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 A0015902 available by request