8010-6302 Screening compound: 2-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

8010-6302 Screening compound: 2-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
8010-6302 Screening compound: 2-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6302
2-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-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

8010-6302

Molecular Formula

C18H12N4O5S2 (C18 H12 N4 O5 S2)

Compound Name

2-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-23-dihydro-1H-isoindole-13-dione

SMILES

COc(cc1)c(CSc2nnc(N(C(c3c4cccc3)=O)C4=O)s2)cc1[N+]([O-])=O

InChI

InChI=1S/C18H12N4O5S2/c1-27-14-7-6-11(22(25)26)8-10(14)9-28-18-20-19-17(29-18)21-15(23)12-4-2-3-5-13(12)16(21)24/h2-8H,9H2,1H3

InChI Key

SWMRTZAPWYACDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02039711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

3.768

Water Solubility, LogSw

-3.94

Polar Surface Area

92.300

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

-10.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8010-6302 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 8010-6302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6302?
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What is the minimum amount of 8010-6302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6302
  • 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 8010-6302 available by request