C285-0128 Screening compound: 1-(3-{[3-(2-carboxy-6-methylpiperidin-1-yl)-3-oxopropyl]disulfanyl}propanoyl)-6-methylpiperidine-2-carboxylic acid

C285-0128 Screening compound: 1-(3-{[3-(2-carboxy-6-methylpiperidin-1-yl)-3-oxopropyl]disulfanyl}propanoyl)-6-methylpiperidine-2-carboxylic acid
C285-0128 Screening compound: 1-(3-{[3-(2-carboxy-6-methylpiperidin-1-yl)-3-oxopropyl]disulfanyl}propanoyl)-6-methylpiperidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C285-0128
1-(3-{[3-(2-carboxy-6-methylpiperidin-1-yl)-3-oxopropyl]disulfanyl}propanoyl)-6-methylpiperidine-2-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

C285-0128

Molecular Formula

C20H32N2O6S2 (C20 H32 N2 O6 S2)

Compound Name

1-(3-{[3-(2-carboxy-6-methylpiperidin-1-yl)-3-oxopropyl]disulfanyl}propanoyl)-6-methylpiperidine-2-carboxylic acid

IUPAC name

1-(3-{[3-(2-carboxy-6-methylpiperidin-1-yl)-3-oxopropyl]disulfanyl}propanoyl)-6-methylpiperidine-2-carboxylic acid

SMILES

CC(CCCC1C(O)=O)N1C(CCSSCCC(N(C(C)CCC1)C1C(O)=O)=O)=O

InChI

InChI=1S/C20H32N2O6S2/c1-13-5-3-7-15(19(25)26)21(13)17(23)9-11-29-30-12-10-18(24)22-14(2)6-4-8-16(22)20(27)28/h13-16H,3-12H2,1-2H3,(H,25,26)(H,27,28)

InChI Key

YAFUBSHQRSFEPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00564082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.382

Distribution Coefficient, logD

-3.278

Water Solubility, LogSw

-0.99

Polar Surface Area

86.834

Acid Dissociation Constant (pKa)

3.74

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

80.00

C285-0128 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C285-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C285-0128?
Check Price and Availability of C285-0128, 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 C285-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C285-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C285-0128
  • 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 C285-0128 available by request