3050-0828 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

3050-0828 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
3050-0828 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3050-0828
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

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

3050-0828

Molecular Formula

C28H21ClN2O4S (C28 H21 ClN2 O4 S)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)-3-hydroxyphenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

SMILES

COc(cc(cc1)C(Nc(cc2)cc(O)c2-c2nc(cccc3)c3s2)=O)c1OCc(cc1)ccc1Cl

InChI

InChI=1S/C28H21ClN2O4S/c1-34-25-14-18(8-13-24(25)35-16-17-6-9-19(29)10-7-17)27(33)30-20-11-12-21(23(32)15-20)28-31-22-4-2-3-5-26(22)36-28/h2-15,32H,16H2,1H3,(H,30,33)

InChI Key

OEMVHHYUJCVLMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.913

Distribution Coefficient, logD

6.905

Water Solubility, LogSw

-5.92

Polar Surface Area

64.271

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 3050-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3050-0828?
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What is the minimum amount of 3050-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3050-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3050-0828
  • 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 3050-0828 available by request