0437-0078 Screening compound: 2-bromo-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide

0437-0078 Screening compound: 2-bromo-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
0437-0078 Screening compound: 2-bromo-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0437-0078
2-bromo-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide

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

0437-0078

Molecular Formula

C17H14BrCl3N4O4S (C17 H14 BrCl3 N4 O4 S)

Compound Name

2-bromo-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide

IUPAC name

2-bromo-N-(222-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide

SMILES

COc(ccc([N+]([O-])=O)c1)c1NC(NC(C(Cl)(Cl)Cl)NC(c(cccc1)c1Br)=O)=S

InChI

InChI=1S/C17H14BrCl3N4O4S/c1-29-13-7-6-9(25(27)28)8-12(13)22-16(30)24-15(17(19,20)21)23-14(26)10-4-2-3-5-11(10)18/h2-8,15H,1H3,(H,23,26)(H2,22,24,30)/t15-/m0/s1

InChI Key

UPRGSSLDRVPVIL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00805242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.610

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-4.76

Polar Surface Area

83.674

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 0437-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0437-0078?
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What is the minimum amount of 0437-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0437-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0437-0078
  • 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 0437-0078 available by request