8007-2227 Screening compound: 2-({6-[(E)-[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,6-diethylphenyl)acetamide

8007-2227 Screening compound: 2-({6-[(E)-[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,6-diethylphenyl)acetamide
8007-2227 Screening compound: 2-({6-[(E)-[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,6-diethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2227
2-({6-[(E)-[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,6-diethylphenyl)acetamide

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

8007-2227

Molecular Formula

C26H23Cl2N3O2S2 (C26 H23 Cl2 N3 O2 S2)

Compound Name

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

IUPAC name

2-({6-[(E)-[(35-dichloro-2-hydroxyphenyl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-(26-diethylphenyl)acetamide

SMILES

CCc1cccc(CC)c1NC(CSc1nc(ccc(/N=C/c2cc(Cl)cc(Cl)c2O)c2)c2s1)=O

InChI

InChI=1S/C26H23Cl2N3O2S2/c1-3-15-6-5-7-16(4-2)24(15)31-23(32)14-34-26-30-21-9-8-19(12-22(21)35-26)29-13-17-10-18(27)11-20(28)25(17)33/h5-13,33H,3-4,14H2,1-2H3,(H,31,32)

InChI Key

ANTMNSPMUOYSBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.53

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

7.686

Distribution Coefficient, logD

7.106

Water Solubility, LogSw

-5.95

Polar Surface Area

54.409

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

8007-2227 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8007-2227 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8007-2227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2227
  • 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 8007-2227 available by request