D399-0031 Screening compound: 1-(5-bromo-6-{[2-(thiophen-2-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one

D399-0031 Screening compound: 1-(5-bromo-6-{[2-(thiophen-2-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one
D399-0031 Screening compound: 1-(5-bromo-6-{[2-(thiophen-2-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0031
1-(5-bromo-6-{[2-(thiophen-2-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one

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

D399-0031

Molecular Formula

C18H19BrN2O3S2 (C18 H19 BrN2 O3 S2)

Compound Name

1-(5-bromo-6-{[2-(thiophen-2-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one

IUPAC name

1-(5-bromo-6-{[2-(thiophen-2-yl)pyrrolidin-1-yl]sulfonyl}-23-dihydro-1H-indol-1-yl)ethan-1-one

SMILES

CC(N(CCc1c2)c1cc(S(N(CCC1)C1c1cccs1)(=O)=O)c2Br)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

3.044

Water Solubility, LogSw

-3.47

Polar Surface Area

49.951

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

D399-0031 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with D399-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0031?
Check Price and Availability of D399-0031, 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 D399-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0031
  • 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 D399-0031 available by request