3389-1264 Screening compound: 2-(1-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

3389-1264 Screening compound: 2-(1-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
3389-1264 Screening compound: 2-(1-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-1264
2-(1-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-1-oxo-3-phenylpropan-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

3389-1264

Molecular Formula

C29H22N2O3S3 (C29 H22 N2 O3 S3)

Compound Name

2-(1-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-1-oxo-3-phenylpropan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-(1-{44-dimethyl-1-sulfanylidene-1H4H5H-[12]dithiolo[34-c]quinolin-5-yl}-1-oxo-3-phenylpropan-2-yl)-23-dihydro-1H-isoindole-13-dione

SMILES

CC1(C)N(C(C(Cc2ccccc2)N(C(c2c3cccc2)=O)C3=O)=O)c(cccc2)c2C2=C1SSC2=S

InChI

InChI=1S/C29H22N2O3S3/c1-29(2)24-23(28(35)37-36-24)20-14-8-9-15-21(20)31(29)27(34)22(16-17-10-4-3-5-11-17)30-25(32)18-12-6-7-13-19(18)26(30)33/h3-15,22H,16H2,1-2H3/t22-/m0/s1

InChI Key

CTFNFVALXVSUGC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01171278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.979

Distribution Coefficient, logD

5.979

Water Solubility, LogSw

-5.63

Polar Surface Area

42.613

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

3389-1264 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3389-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-1264?
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What is the minimum amount of 3389-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-1264
  • 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 3389-1264 available by request