1490-0343 Screening compound: ethyl 4-phenyl-2-({2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl}amino)-3-thiophenecarboxylate

1490-0343 Screening compound: ethyl 4-phenyl-2-({2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl}amino)-3-thiophenecarboxylate
1490-0343 Screening compound: ethyl 4-phenyl-2-({2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl}amino)-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1490-0343
ethyl 4-phenyl-2-({2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl}amino)-3-thiophenecarboxylate

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

1490-0343

Molecular Formula

C23H21Cl3N2O4S (C23 H21 Cl3 N2 O4 S)

Compound Name

ethyl 4-phenyl-2-({2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl}amino)-3-thiophenecarboxylate

IUPAC name

ethyl 4-phenyl-2-({222-trichloro-1-[(4-methoxyphenyl)formamido]ethyl}amino)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(Cl)(Cl)Cl)NC(c(cc2)ccc2OC)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C23H21Cl3N2O4S/c1-3-32-21(30)18-17(14-7-5-4-6-8-14)13-33-20(18)28-22(23(24,25)26)27-19(29)15-9-11-16(31-2)12-10-15/h4-13,22,28H,3H2,1-2H3,(H,27,29)/t22-/m0/s1

InChI Key

XGYHMJONZXNCHD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00640466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.688

Distribution Coefficient, logD

5.566

Water Solubility, LogSw

-6.06

Polar Surface Area

61.270

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

-11.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

1490-0343 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1490-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1490-0343?
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What is the minimum amount of 1490-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1490-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1490-0343
  • 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 1490-0343 available by request