SB12-0099 Screening compound: 2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxylic acid

SB12-0099 Screening compound: 2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxylic acid
SB12-0099 Screening compound: 2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound SB12-0099
2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxylic 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

SB12-0099

Molecular Formula

C12H13NO3 (C12 H13 NO3)

Compound Name

2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxylic acid

IUPAC name

2-methyl-1-oxo-2345-tetrahydro-1H-2-benzazepine-3-carboxylic acid

SMILES

CN(C(CCc1c2cccc1)C(O)=O)C2=O

InChI

InChI=1S/C12H13NO3/c1-13-10(12(15)16)7-6-8-4-2-3-5-9(8)11(13)14/h2-5,10H,6-7H2,1H3,(H,15,16)/t10-/m0/s1

InChI Key

UQACMEPXCSNJBP-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.631

Distribution Coefficient, logD

-2.808

Water Solubility, LogSw

-2.06

Polar Surface Area

44.875

Acid Dissociation Constant (pKa)

3.96

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

SB12-0099 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB12-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB12-0099?
Check Price and Availability of SB12-0099, 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 SB12-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB12-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB12-0099
  • 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 SB12-0099 available by request