3389-2577 Screening compound: N-(4-{4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}phenyl)acetamide

3389-2577 Screening compound: N-(4-{4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}phenyl)acetamide
3389-2577 Screening compound: N-(4-{4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-2577
N-(4-{4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}phenyl)acetamide

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

3389-2577

Molecular Formula

C20H19N3OS2 (C20 H19 N3 OS2)

Compound Name

N-(4-{4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}phenyl)acetamide

IUPAC name

N-(4-{44-dimethyl-1-sulfanylidene-1H2H4H5H-[12]thiazolo[54-c]quinolin-2-yl}phenyl)acetamide

SMILES

CC1(C)Nc(cccc2)c2C(C2=S)=C1SN2c(cc1)ccc1NC(C)=O

InChI

InChI=1S/C20H19N3OS2/c1-12(24)21-13-8-10-14(11-9-13)23-19(25)17-15-6-4-5-7-16(15)22-20(2,3)18(17)26-23/h4-11,22H,1-3H3,(H,21,24)

InChI Key

VZZDTRZUVYOZBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01543039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.163

Distribution Coefficient, logD

2.536

Water Solubility, LogSw

-4.33

Polar Surface Area

37.968

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3389-2577 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 3389-2577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-2577?
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What is the minimum amount of 3389-2577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-2577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-2577
  • 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 3389-2577 available by request