A0016343 Screening compound: ethyl 4-(4-oxo-3-pentyl-2-{[(pyridin-4-yl)methyl]sulfanyl}-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate

A0016343 Screening compound: ethyl 4-(4-oxo-3-pentyl-2-{[(pyridin-4-yl)methyl]sulfanyl}-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate
A0016343 Screening compound: ethyl 4-(4-oxo-3-pentyl-2-{[(pyridin-4-yl)methyl]sulfanyl}-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016343
ethyl 4-(4-oxo-3-pentyl-2-{[(pyridin-4-yl)methyl]sulfanyl}-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate

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

A0016343

Molecular Formula

C27H33N5O4S (C27 H33 N5 O4 S)

Compound Name

ethyl 4-(4-oxo-3-pentyl-2-{[(pyridin-4-yl)methyl]sulfanyl}-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(4-oxo-3-pentyl-2-{[(pyridin-4-yl)methyl]sulfanyl}-34-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate

SMILES

CCCCCN1C(SCc2ccncc2)=Nc(cc(cc2)C(N(CC3)CCN3C(OCC)=O)=O)c2C1=O

InChI

InChI=1S/C27H33N5O4S/c1-3-5-6-13-32-25(34)22-8-7-21(24(33)30-14-16-31(17-15-30)27(35)36-4-2)18-23(22)29-26(32)37-19-20-9-11-28-12-10-20/h7-12,18H,3-6,13-17,19H2,1-2H3

InChI Key

WMHBDDICVLVBIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.21

Polar Surface Area

74.878

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

A0016343 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with A0016343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016343?
Check Price and Availability of A0016343, 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 A0016343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016343
  • 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 A0016343 available by request