2181-0760 Screening compound: 4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl thiophene-2-carboxylate

2181-0760 Screening compound: 4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl thiophene-2-carboxylate
2181-0760 Screening compound: 4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0760
4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl thiophene-2-carboxylate

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

2181-0760

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl thiophene-2-carboxylate

IUPAC name

4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl thiophene-2-carboxylate

SMILES

Cc(cccc1)c1NCC(N/N=C\c(cc1)ccc1OC(c1cccs1)=O)=O

InChI

InChI=1S/C21H19N3O3S/c1-15-5-2-3-6-18(15)22-14-20(25)24-23-13-16-8-10-17(11-9-16)27-21(26)19-7-4-12-28-19/h2-13,22H,14H2,1H3,(H,24,25)

InChI Key

BTRYSHXRSXPBCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01039790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.26

Polar Surface Area

66.545

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 2181-0760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0760?
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What is the minimum amount of 2181-0760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0760
  • 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 2181-0760 available by request