8012-5623 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzisoxazole

8012-5623 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzisoxazole
8012-5623 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzisoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5623
4-[(4-chlorophenyl)sulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzisoxazole

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

8012-5623

Molecular Formula

C16H11ClN2O5S (C16 H11 ClN2 O5 S)

Compound Name

4-[(4-chlorophenyl)sulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzisoxazole

IUPAC name

4-[(4-chlorophenyl)sulfanyl]-3-(13-dioxolan-2-yl)-6-nitro-12-benzoxazole

SMILES

[O-][N+](c1cc(Sc(cc2)ccc2Cl)c(c(C2OCCO2)no2)c2c1)=O

InChI

InChI=1S/C16H11ClN2O5S/c17-9-1-3-11(4-2-9)25-13-8-10(19(20)21)7-12-14(13)15(18-24-12)16-22-5-6-23-16/h1-4,7-8,16H,5-6H2

InChI Key

SOWZFFWDDFMNRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.80

Polar Surface Area

72.329

Acid Dissociation Constant (pKa)

27.43

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with 8012-5623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5623?
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What is the minimum amount of 8012-5623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5623
  • 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 8012-5623 available by request