1501-0153 Screening compound: 3,5-dinitro-N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)benzamide

1501-0153 Screening compound: 3,5-dinitro-N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)benzamide
1501-0153 Screening compound: 3,5-dinitro-N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-0153
3,5-dinitro-N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)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

1501-0153

Molecular Formula

C17H14Cl3N5O6S (C17 H14 Cl3 N5 O6 S)

Compound Name

3,5-dinitro-N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)benzamide

IUPAC name

35-dinitro-N-(222-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)benzamide

SMILES

COc(cc1)ccc1NC(NC(C(Cl)(Cl)Cl)NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O)=S

InChI

InChI=1S/C17H14Cl3N5O6S/c1-31-13-4-2-10(3-5-13)21-16(32)23-15(17(18,19)20)22-14(26)9-6-11(24(27)28)8-12(7-9)25(29)30/h2-8,15H,1H3,(H,22,26)(H2,21,23,32)/t15-/m0/s1

InChI Key

JTSNUSOHWMISPC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00628265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.75

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

1.120

Water Solubility, LogSw

-4.64

Polar Surface Area

117.667

Acid Dissociation Constant (pKa)

4.41

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 1501-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-0153?
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What is the minimum amount of 1501-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-0153
  • 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 1501-0153 available by request