2372-3507 Screening compound: 5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-2,3-dihydro-1H-isoindole-1,3-dione

2372-3507 Screening compound: 5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-2,3-dihydro-1H-isoindole-1,3-dione
2372-3507 Screening compound: 5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2372-3507
5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-2,3-dihydro-1H-isoindole-1,3-dione

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

2372-3507

Molecular Formula

C30H19N3O8S (C30 H19 N3 O8 S)

Compound Name

5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-(67-dimethoxy-4-oxo-4H-31-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-23-dihydro-1H-isoindole-13-dione

SMILES

COc(c(OC)c1)cc2c1N=C(c(cc1)cc(C(N3c(cc4)ccc4Sc(cc4)ccc4[N+]([O-])=O)=O)c1C3=O)OC2=O

InChI

InChI=1S/C30H19N3O8S/c1-39-25-14-23-24(15-26(25)40-2)31-27(41-30(23)36)16-3-12-21-22(13-16)29(35)32(28(21)34)17-4-8-19(9-5-17)42-20-10-6-18(7-11-20)33(37)38/h3-15H,1-2H3

InChI Key

CXOYRIYHBOBHGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.56

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.629

Distribution Coefficient, logD

5.629

Water Solubility, LogSw

-5.55

Polar Surface Area

107.198

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 2372-3507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2372-3507?
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What is the minimum amount of 2372-3507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2372-3507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2372-3507
  • 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 2372-3507 available by request