G836-0029 Screening compound: 3-benzyl-N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G836-0029 Screening compound: 3-benzyl-N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G836-0029 Screening compound: 3-benzyl-N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0029
3-benzyl-N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-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

G836-0029

Molecular Formula

C26H24N4O5S (C26 H24 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c(cc1)cc(N=C(N2Cc3ccccc3)SCc(cc3)ccc3[N+]([O-])=O)c1C2=O)=O

InChI

InChI=1S/C26H24N4O5S/c1-35-14-13-27-24(31)20-9-12-22-23(15-20)28-26(29(25(22)32)16-18-5-3-2-4-6-18)36-17-19-7-10-21(11-8-19)30(33)34/h2-12,15H,13-14,16-17H2,1H3,(H,27,31)

InChI Key

LPDMUMPSRHFGCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.726

Distribution Coefficient, logD

3.726

Water Solubility, LogSw

-4.06

Polar Surface Area

92.021

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with G836-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0029?
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What is the minimum amount of G836-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0029
  • 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 G836-0029 available by request