D399-2851 Screening compound: methyl 2-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}acetate

D399-2851 Screening compound: methyl 2-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}acetate
D399-2851 Screening compound: methyl 2-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-2851
methyl 2-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}acetate

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

D399-2851

Molecular Formula

C12H16N2O3S (C12 H16 N2 O3 S)

Compound Name

methyl 2-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}acetate

IUPAC name

methyl 2-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}acetate

SMILES

COC(CNC(N(CCC1)C1c1cccs1)=O)=O

InChI

InChI=1S/C12H16N2O3S/c1-17-11(15)8-13-12(16)14-6-2-4-9(14)10-5-3-7-18-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,13,16)/t9-/m0/s1

InChI Key

JGPLAFQHUJHQNL-VIFPVBQESA-N

MDL Number (MFCD)

MFCD14826672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.146

Distribution Coefficient, logD

1.146

Water Solubility, LogSw

-2.11

Polar Surface Area

48.687

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D399-2851 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D399-2851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-2851?
Check Price and Availability of D399-2851, 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 D399-2851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-2851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-2851
  • 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 D399-2851 available by request