R152-1198 Screening compound: 2-({benzyl[(pyridin-3-yl)methyl]carbamothioyl}amino)acetic acid

R152-1198 Screening compound: 2-({benzyl[(pyridin-3-yl)methyl]carbamothioyl}amino)acetic acid
R152-1198 Screening compound: 2-({benzyl[(pyridin-3-yl)methyl]carbamothioyl}amino)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R152-1198
2-({benzyl[(pyridin-3-yl)methyl]carbamothioyl}amino)acetic 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

R152-1198

Molecular Formula

C16H17N3O2S (C16 H17 N3 O2 S)

Compound Name

2-({benzyl[(pyridin-3-yl)methyl]carbamothioyl}amino)acetic acid

IUPAC name

2-({benzyl[(pyridin-3-yl)methyl]carbamothioyl}amino)acetic acid

SMILES

OC(CNC(N(Cc1ccccc1)Cc1cnccc1)=S)=O

InChI

InChI=1S/C16H17N3O2S/c20-15(21)10-18-16(22)19(11-13-5-2-1-3-6-13)12-14-7-4-8-17-9-14/h1-9H,10-12H2,(H,18,22)(H,20,21)

InChI Key

WMDILDCVCVZUMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.761

Distribution Coefficient, logD

-2.172

Water Solubility, LogSw

-1.65

Polar Surface Area

49.923

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with R152-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R152-1198?
Check Price and Availability of R152-1198, 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 R152-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R152-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R152-1198
  • 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 R152-1198 available by request