8009-5475 Screening compound: N~1~-[4-(aminosulfonyl)benzyl]-N~1~-[2,5-dioxo-1-(4-propoxyphenyl)tetrahydro-1H-pyrrol-3-yl]propanamide

8009-5475 Screening compound: N~1~-[4-(aminosulfonyl)benzyl]-N~1~-[2,5-dioxo-1-(4-propoxyphenyl)tetrahydro-1H-pyrrol-3-yl]propanamide
8009-5475 Screening compound: N~1~-[4-(aminosulfonyl)benzyl]-N~1~-[2,5-dioxo-1-(4-propoxyphenyl)tetrahydro-1H-pyrrol-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5475
N~1~-[4-(aminosulfonyl)benzyl]-N~1~-[2,5-dioxo-1-(4-propoxyphenyl)tetrahydro-1H-pyrrol-3-yl]propanamide

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

8009-5475

Molecular Formula

C23H27N3O6S (C23 H27 N3 O6 S)

Compound Name

N~1~-[4-(aminosulfonyl)benzyl]-N~1~-[2,5-dioxo-1-(4-propoxyphenyl)tetrahydro-1H-pyrrol-3-yl]propanamide

IUPAC name

N-[25-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide

SMILES

CCCOc(cc1)ccc1N(C(CC1N(Cc(cc2)ccc2S(N)(=O)=O)C(CC)=O)=O)C1=O

InChI

InChI=1S/C23H27N3O6S/c1-3-13-32-18-9-7-17(8-10-18)26-22(28)14-20(23(26)29)25(21(27)4-2)15-16-5-11-19(12-6-16)33(24,30)31/h5-12,20H,3-4,13-15H2,1-2H3,(H2,24,30,31)/t20-/m0/s1

InChI Key

GHKCSIBLMLLHTB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01625538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.264

Distribution Coefficient, logD

1.263

Water Solubility, LogSw

-2.23

Polar Surface Area

101.652

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

8009-5475 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-5475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5475?
Check Price and Availability of 8009-5475, 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 8009-5475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5475
  • 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 8009-5475 available by request