8010-0675 Screening compound: 4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide

8010-0675 Screening compound: 4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide
8010-0675 Screening compound: 4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0675
4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide

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

8010-0675

Molecular Formula

C18H17N3O2S3 (C18 H17 N3 O2 S3)

Compound Name

4-{[(1Z)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide

IUPAC name

4-{[(1Z)-44-dimethyl-1H4H5H-[12]dithiolo[34-c]quinolin-1-ylidene]amino}benzene-1-sulfonamide

SMILES

CC1(C)Nc(cccc2)c2C2=C1SS/C2=N\c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C18H17N3O2S3/c1-18(2)16-15(13-5-3-4-6-14(13)21-18)17(25-24-16)20-11-7-9-12(10-8-11)26(19,22)23/h3-10,21H,1-2H3,(H2,19,22,23)

InChI Key

VXFGSLREHQAAFP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.957

Distribution Coefficient, logD

2.955

Water Solubility, LogSw

-3.67

Polar Surface Area

70.227

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8010-0675 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0675?
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What is the minimum amount of 8010-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0675
  • 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 8010-0675 available by request