8015-2812 Screening compound: ethyl 4-({[2-(5-bromo-2-thienyl)-1,3-thiazolan-3-yl]carbothioyl}amino)benzoate

8015-2812 Screening compound: ethyl 4-({[2-(5-bromo-2-thienyl)-1,3-thiazolan-3-yl]carbothioyl}amino)benzoate
8015-2812 Screening compound: ethyl 4-({[2-(5-bromo-2-thienyl)-1,3-thiazolan-3-yl]carbothioyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2812
ethyl 4-({[2-(5-bromo-2-thienyl)-1,3-thiazolan-3-yl]carbothioyl}amino)benzoate

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

8015-2812

Molecular Formula

C17H17BrN2O2S3 (C17 H17 BrN2 O2 S3)

Compound Name

ethyl 4-({[2-(5-bromo-2-thienyl)-1,3-thiazolan-3-yl]carbothioyl}amino)benzoate

IUPAC name

ethyl 4-{[2-(5-bromothiophen-2-yl)-13-thiazolidine-3-carbothioyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(N1C(c(s2)ccc2Br)SCC1)=S)=O

InChI

InChI=1S/C17H17BrN2O2S3/c1-2-22-16(21)11-3-5-12(6-4-11)19-17(23)20-9-10-24-15(20)13-7-8-14(18)25-13/h3-8,15H,2,9-10H2,1H3,(H,19,23)/t15-/m0/s1

InChI Key

WYUHNZQKNCEZIY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03916438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.407

Distribution Coefficient, logD

5.407

Water Solubility, LogSw

-5.39

Polar Surface Area

32.699

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

References: we are preparing a list of scientific research reports with 8015-2812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2812?
Check Price and Availability of 8015-2812, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-2812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2812
  • 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 8015-2812 available by request