8007-2208 Screening compound: 2-({6-[(E)-[(4-bromophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)propanamide

8007-2208 Screening compound: 2-({6-[(E)-[(4-bromophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
8007-2208 Screening compound: 2-({6-[(E)-[(4-bromophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2208
2-({6-[(E)-[(4-bromophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)propanamide

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

8007-2208

Molecular Formula

C26H24BrN3OS2 (C26 H24 BrN3 OS2)

Compound Name

2-({6-[(E)-[(4-bromophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)propanamide

IUPAC name

2-({6-[(E)-[(4-bromophenyl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-(246-trimethylphenyl)propanamide

SMILES

CC(C(Nc1c(C)cc(C)cc1C)=O)Sc1nc(ccc(/N=C/c(cc2)ccc2Br)c2)c2s1

InChI

InChI=1S/C26H24BrN3OS2/c1-15-11-16(2)24(17(3)12-15)30-25(31)18(4)32-26-29-22-10-9-21(13-23(22)33-26)28-14-19-5-7-20(27)8-6-19/h5-14,18H,1-4H3,(H,30,31)/t18-/m0/s1

InChI Key

RWDZDIVXLFFCSA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00758359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.282

Distribution Coefficient, logD

7.282

Water Solubility, LogSw

-5.63

Polar Surface Area

39.143

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

8007-2208 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 8007-2208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-2208?
Check Price and Availability of 8007-2208, 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 8007-2208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2208
  • 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 8007-2208 available by request