3952-0107 Screening compound: 3-{[3-(3-carboxypropanamido)-2,4,6-trimethylphenyl]carbamoyl}propanoic acid

3952-0107 Screening compound: 3-{[3-(3-carboxypropanamido)-2,4,6-trimethylphenyl]carbamoyl}propanoic acid
3952-0107 Screening compound: 3-{[3-(3-carboxypropanamido)-2,4,6-trimethylphenyl]carbamoyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-0107
3-{[3-(3-carboxypropanamido)-2,4,6-trimethylphenyl]carbamoyl}propanoic 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

3952-0107

Molecular Formula

C17H22N2O6 (C17 H22 N2 O6)

Compound Name

3-{[3-(3-carboxypropanamido)-2,4,6-trimethylphenyl]carbamoyl}propanoic acid

IUPAC name

3-{[3-(3-carboxypropanamido)-246-trimethylphenyl]carbamoyl}propanoic acid

SMILES

Cc(cc(C)c(NC(CCC(O)=O)=O)c1C)c1NC(CCC(O)=O)=O

InChI

InChI=1S/C17H22N2O6/c1-9-8-10(2)17(19-13(21)5-7-15(24)25)11(3)16(9)18-12(20)4-6-14(22)23/h8H,4-7H2,1-3H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)

InChI Key

OWYFEBIAEPEWNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01159012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.472

Distribution Coefficient, logD

-3.422

Water Solubility, LogSw

-1.39

Polar Surface Area

100.514

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

3952-0107 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3952-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-0107?
Check Price and Availability of 3952-0107, 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 3952-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-0107
  • 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 3952-0107 available by request