D399-2991 Screening compound: methyl 3-{[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate

D399-2991 Screening compound: methyl 3-{[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate
D399-2991 Screening compound: methyl 3-{[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-2991
methyl 3-{[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate

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

D399-2991

Molecular Formula

C18H20N2O3S (C18 H20 N2 O3 S)

Compound Name

methyl 3-{[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate

IUPAC name

methyl 3-{[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate

SMILES

Cc1ccc(C(CCC2)N2C(Nc2c(C(OC)=O)scc2)=O)cc1

InChI

InChI=1S/C18H20N2O3S/c1-12-5-7-13(8-6-12)15-4-3-10-20(15)18(22)19-14-9-11-24-16(14)17(21)23-2/h5-9,11,15H,3-4,10H2,1-2H3,(H,19,22)/t15-/m0/s1

InChI Key

IFXNLFBKUIPHHU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10702404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.43

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

3.676

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-3.74

Polar Surface Area

46.990

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D399-2991 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • PPI modulators
Agro:
  • Agro
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D399-2991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-2991?
Check Price and Availability of D399-2991, 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 D399-2991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-2991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-2991
  • 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 D399-2991 available by request