4321-0775 Screening compound: 3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-1-benzothiophene-2-carboxamide

4321-0775 Screening compound: 3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-1-benzothiophene-2-carboxamide
4321-0775 Screening compound: 3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4321-0775
3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-1-benzothiophene-2-carboxamide

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

4321-0775

Molecular Formula

C23H17ClN4O2S (C23 H17 ClN4 O2 S)

Compound Name

3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-123-benzotriazol-5-yl]-1-benzothiophene-2-carboxamide

SMILES

Cc1cc2nn(-c(cc3)ccc3OC)nc2cc1NC(c(sc1c2cccc1)c2Cl)=O

InChI

InChI=1S/C23H17ClN4O2S/c1-13-11-18-19(27-28(26-18)14-7-9-15(30-2)10-8-14)12-17(13)25-23(29)22-21(24)16-5-3-4-6-20(16)31-22/h3-12H,1-2H3,(H,25,29)

InChI Key

HEWRQWOJQCZYPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.810

Distribution Coefficient, logD

5.768

Water Solubility, LogSw

-6.18

Polar Surface Area

54.957

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 4321-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4321-0775?
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What is the minimum amount of 4321-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4321-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4321-0775
  • 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 4321-0775 available by request