G836-0239 Screening compound: N-cyclopentyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide

G836-0239 Screening compound: N-cyclopentyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
G836-0239 Screening compound: N-cyclopentyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0239
N-cyclopentyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-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

G836-0239

Molecular Formula

C26H28N4O5S (C26 H28 N4 O5 S)

Compound Name

N-cyclopentyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-cyclopentyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-34-dihydroquinazoline-7-carboxamide

SMILES

[O-][N+](c1cccc(CSC(N2CC3OCCC3)=Nc(cc(cc3)C(NC4CCCC4)=O)c3C2=O)c1)=O

InChI

InChI=1S/C26H28N4O5S/c31-24(27-19-6-1-2-7-19)18-10-11-22-23(14-18)28-26(29(25(22)32)15-21-9-4-12-35-21)36-16-17-5-3-8-20(13-17)30(33)34/h3,5,8,10-11,13-14,19,21H,1-2,4,6-7,9,12,15-16H2,(H,27,31)/t21-/m1/s1

InChI Key

ZBPVFHIQLAYWRZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27164497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

3.768

Water Solubility, LogSw

-4.11

Polar Surface Area

92.311

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

G836-0239 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 G836-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0239?
Check Price and Availability of G836-0239, 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 G836-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0239
  • 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 G836-0239 available by request