8007-6637 Screening compound: 2-({6-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-butylacetamide

8007-6637 Screening compound: 2-({6-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-butylacetamide
8007-6637 Screening compound: 2-({6-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6637
2-({6-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-butylacetamide

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

8007-6637

Molecular Formula

C20H20BrN3O2S2 (C20 H20 BrN3 O2 S2)

Compound Name

2-({6-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-butylacetamide

IUPAC name

2-({6-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-butylacetamide

SMILES

CCCCNC(CSc1nc(ccc(/N=C/c(cc(cc2)Br)c2O)c2)c2s1)=O

InChI

InChI=1S/C20H20BrN3O2S2/c1-2-3-8-22-19(26)12-27-20-24-16-6-5-15(10-18(16)28-20)23-11-13-9-14(21)4-7-17(13)25/h4-7,9-11,25H,2-3,8,12H2,1H3,(H,22,26)

InChI Key

RGIHETULSZYMFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01230396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.373

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-4.97

Polar Surface Area

58.308

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8007-6637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6637?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6637
  • 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 8007-6637 available by request