1501-0185 Screening compound: 4-{[(2,2,2-trichloro-1-heptanamidoethyl)carbamothioyl]amino}benzoic acid

1501-0185 Screening compound: 4-{[(2,2,2-trichloro-1-heptanamidoethyl)carbamothioyl]amino}benzoic acid
1501-0185 Screening compound: 4-{[(2,2,2-trichloro-1-heptanamidoethyl)carbamothioyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-0185
4-{[(2,2,2-trichloro-1-heptanamidoethyl)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

1501-0185

Molecular Formula

C17H22Cl3N3O3S (C17 H22 Cl3 N3 O3 S)

Compound Name

4-{[(2,2,2-trichloro-1-heptanamidoethyl)carbamothioyl]amino}benzoic acid

IUPAC name

4-{[(222-trichloro-1-heptanamidoethyl)carbamothioyl]amino}benzoic acid

SMILES

CCCCCCC(NC(C(Cl)(Cl)Cl)NC(Nc(cc1)ccc1C(O)=O)=S)=O

InChI

InChI=1S/C17H22Cl3N3O3S/c1-2-3-4-5-6-13(24)22-15(17(18,19)20)23-16(27)21-12-9-7-11(8-10-12)14(25)26/h7-10,15H,2-6H2,1H3,(H,22,24)(H,25,26)(H2,21,23,27)/t15-/m0/s1

InChI Key

IDANOLSWQQNMHF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00361109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.839

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-4.48

Polar Surface Area

71.826

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with 1501-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-0185?
Check Price and Availability of 1501-0185, 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 1501-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-0185
  • 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 1501-0185 available by request