0934-0104 Screening compound: N~1~-[6-bromo-3-methyl-1,3-benzothiazol-2(3H)-yliden]-3,4,5-trimethoxybenzamide

0934-0104 Screening compound: N~1~-[6-bromo-3-methyl-1,3-benzothiazol-2(3H)-yliden]-3,4,5-trimethoxybenzamide
0934-0104 Screening compound: N~1~-[6-bromo-3-methyl-1,3-benzothiazol-2(3H)-yliden]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0934-0104
N~1~-[6-bromo-3-methyl-1,3-benzothiazol-2(3H)-yliden]-3,4,5-trimethoxybenzamide

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

0934-0104

Molecular Formula

C18H17BrN2O4S (C18 H17 BrN2 O4 S)

Compound Name

N~1~-[6-bromo-3-methyl-1,3-benzothiazol-2(3H)-yliden]-3,4,5-trimethoxybenzamide

IUPAC name

n/a

SMILES

CN(c(ccc(Br)c1)c1S1)/C1=N\C(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C18H17BrN2O4S/c1-21-12-6-5-11(19)9-15(12)26-18(21)20-17(22)10-7-13(23-2)16(25-4)14(8-10)24-3/h5-9H,1-4H3

InChI Key

XKLXNSZKZXVYIA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.606

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-3.93

Polar Surface Area

48.274

Acid Dissociation Constant (pKa)

32.82

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 0934-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0934-0104?
Check Price and Availability of 0934-0104, 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 0934-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0934-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0934-0104
  • 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 0934-0104 available by request