8019-9857 Screening compound: 4-[(butanamidomethanethioyl)amino]benzoic acid

8019-9857 Screening compound: 4-[(butanamidomethanethioyl)amino]benzoic acid
8019-9857 Screening compound: 4-[(butanamidomethanethioyl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9857
4-[(butanamidomethanethioyl)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

8019-9857

Molecular Formula

C12H14N2O3S (C12 H14 N2 O3 S)

Compound Name

4-[(butanamidomethanethioyl)amino]benzoic acid

IUPAC name

4-[(butanamidomethanethioyl)amino]benzoic acid

SMILES

CCCC(NC(Nc(cc1)ccc1C(O)=O)=S)=O

InChI

InChI=1S/C12H14N2O3S/c1-2-3-10(15)14-12(18)13-9-6-4-8(5-7-9)11(16)17/h4-7H,2-3H2,1H3,(H,16,17)(H2,13,14,15,18)

InChI Key

DFXNYQDZAZWPPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03563604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.286

Distribution Coefficient, logD

-0.110

Water Solubility, LogSw

-2.83

Polar Surface Area

61.706

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8019-9857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9857?
Check Price and Availability of 8019-9857, 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 8019-9857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9857
  • 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 8019-9857 available by request