0602-0125 Screening compound: 3-[({2,2,2-trichloro-1-[(3-iodophenyl)formamido]ethyl}carbamothioyl)amino]benzoic acid

0602-0125 Screening compound: 3-[({2,2,2-trichloro-1-[(3-iodophenyl)formamido]ethyl}carbamothioyl)amino]benzoic acid
0602-0125 Screening compound: 3-[({2,2,2-trichloro-1-[(3-iodophenyl)formamido]ethyl}carbamothioyl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0602-0125
3-[({2,2,2-trichloro-1-[(3-iodophenyl)formamido]ethyl}carbamothioyl)amino]benzoic acid

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

0602-0125

Molecular Formula

C17H13Cl3IN3O3S (C17 H13 Cl3 IN3 O3 S)

Compound Name

3-[({2,2,2-trichloro-1-[(3-iodophenyl)formamido]ethyl}carbamothioyl)amino]benzoic acid

IUPAC name

3-[({222-trichloro-1-[(3-iodophenyl)formamido]ethyl}carbamothioyl)amino]benzoic acid

SMILES

OC(c1cccc(NC(NC(C(Cl)(Cl)Cl)NC(c2cccc(I)c2)=O)=S)c1)=O

InChI

InChI=1S/C17H13Cl3IN3O3S/c18-17(19,20)15(23-13(25)9-3-1-5-11(21)7-9)24-16(28)22-12-6-2-4-10(8-12)14(26)27/h1-8,15H,(H,23,25)(H,26,27)(H2,22,24,28)/t15-/m0/s1

InChI Key

HUGMQXRZXJXRAB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00666565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.395

Distribution Coefficient, logD

2.510

Water Solubility, LogSw

-5.75

Polar Surface Area

71.768

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 0602-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0602-0125?
Check Price and Availability of 0602-0125, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0602-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0602-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0602-0125
  • 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 0602-0125 available by request