4311-2282 Screening compound: 3-ethyl-5-{(Z)-2-[1-ethylthieno[3,2-e][1,3]benzothiazol-2(1H)-yliden]ethylidene}-2-thioxo-1,3-thiazolan-4-one

4311-2282 Screening compound: 3-ethyl-5-{(Z)-2-[1-ethylthieno[3,2-e][1,3]benzothiazol-2(1H)-yliden]ethylidene}-2-thioxo-1,3-thiazolan-4-one
4311-2282 Screening compound: 3-ethyl-5-{(Z)-2-[1-ethylthieno[3,2-e][1,3]benzothiazol-2(1H)-yliden]ethylidene}-2-thioxo-1,3-thiazolan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4311-2282
3-ethyl-5-{(Z)-2-[1-ethylthieno[3,2-e][1,3]benzothiazol-2(1H)-yliden]ethylidene}-2-thioxo-1,3-thiazolan-4-one

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

4311-2282

Molecular Formula

C18H16N2OS4 (C18 H16 N2 OS4)

Compound Name

3-ethyl-5-{(Z)-2-[1-ethylthieno[3,2-e][1,3]benzothiazol-2(1H)-yliden]ethylidene}-2-thioxo-1,3-thiazolan-4-one

IUPAC name

(5Z)-3-ethyl-5-{2-[(4E)-3-ethyl-510-dithia-3-azatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)711-tetraen-4-ylidene]ethylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN1c(c2c(cc3)scc2)c3S/C1=C/C=C(/C(N1CC)=O)\SC1=S

InChI

InChI=1S/C18H16N2OS4/c1-3-19-15(8-7-14-17(21)20(4-2)18(22)25-14)24-13-6-5-12-11(16(13)19)9-10-23-12/h5-10H,3-4H2,1-2H3

InChI Key

VKUBCFFOJQSRND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.324

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-5.38

Polar Surface Area

19.752

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 4311-2282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4311-2282?
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What is the minimum amount of 4311-2282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4311-2282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4311-2282
  • 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 4311-2282 available by request