8007-7485 Screening compound: methyl 4-[2-({6-[(E)-[(2-hydroxy-5-iodophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate

8007-7485 Screening compound: methyl 4-[2-({6-[(E)-[(2-hydroxy-5-iodophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate
8007-7485 Screening compound: methyl 4-[2-({6-[(E)-[(2-hydroxy-5-iodophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7485
methyl 4-[2-({6-[(E)-[(2-hydroxy-5-iodophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]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

8007-7485

Molecular Formula

C24H18IN3O4S2 (C24 H18 IN3 O4 S2)

Compound Name

methyl 4-[2-({6-[(E)-[(2-hydroxy-5-iodophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-({6-[(E)-[(2-hydroxy-5-iodophenyl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1nc(ccc(/N=C/c(cc(cc2)I)c2O)c2)c2s1)=O)=O

InChI

InChI=1S/C24H18IN3O4S2/c1-32-23(31)14-2-5-17(6-3-14)27-22(30)13-33-24-28-19-8-7-18(11-21(19)34-24)26-12-15-10-16(25)4-9-20(15)29/h2-12,29H,13H2,1H3,(H,27,30)

InChI Key

RBAOVQXYQWNTCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01230645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.805

Distribution Coefficient, logD

6.734

Water Solubility, LogSw

-5.45

Polar Surface Area

78.047

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 8007-7485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7485?
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What is the minimum amount of 8007-7485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7485
  • 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 8007-7485 available by request