0966-0020 Screening compound: 4-bromo-N-(2,2,2-trichloro-1-{[(2-iodophenyl)carbamothioyl]amino}ethyl)benzamide

0966-0020 Screening compound: 4-bromo-N-(2,2,2-trichloro-1-{[(2-iodophenyl)carbamothioyl]amino}ethyl)benzamide
0966-0020 Screening compound: 4-bromo-N-(2,2,2-trichloro-1-{[(2-iodophenyl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0966-0020
4-bromo-N-(2,2,2-trichloro-1-{[(2-iodophenyl)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

0966-0020

Molecular Formula

C16H12BrCl3IN3OS (C16 H12 BrCl3 IN3 OS)

Compound Name

4-bromo-N-(2,2,2-trichloro-1-{[(2-iodophenyl)carbamothioyl]amino}ethyl)benzamide

IUPAC name

4-bromo-N-(222-trichloro-1-{[(2-iodophenyl)carbamothioyl]amino}ethyl)benzamide

SMILES

O=C(c(cc1)ccc1Br)NC(C(Cl)(Cl)Cl)NC(Nc(cccc1)c1I)=S

InChI

InChI=1S/C16H12BrCl3IN3OS/c17-10-7-5-9(6-8-10)13(25)23-14(16(18,19)20)24-15(26)22-12-4-2-1-3-11(12)21/h1-8,14H,(H,23,25)(H2,22,24,26)/t14-/m0/s1

InChI Key

HLLNUNHBSLAYRW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00806688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

607.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.561

Distribution Coefficient, logD

3.901

Water Solubility, LogSw

-6.12

Polar Surface Area

42.662

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

0966-0020 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 0966-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0966-0020?
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What is the minimum amount of 0966-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0966-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0966-0020
  • 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 0966-0020 available by request