K906-3173 Screening compound: ethyl 1-{3-[(2-bromo-4-methylphenyl)carbamoyl]propyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

K906-3173 Screening compound: ethyl 1-{3-[(2-bromo-4-methylphenyl)carbamoyl]propyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
K906-3173 Screening compound: ethyl 1-{3-[(2-bromo-4-methylphenyl)carbamoyl]propyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-3173
ethyl 1-{3-[(2-bromo-4-methylphenyl)carbamoyl]propyl}-2-methyl-5-phenyl-1H-pyrrole-3-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

K906-3173

Molecular Formula

C25H27BrN2O3 (C25 H27 BrN2 O3)

Compound Name

ethyl 1-{3-[(2-bromo-4-methylphenyl)carbamoyl]propyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 1-{3-[(2-bromo-4-methylphenyl)carbamoyl]propyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(CCCC(Nc(ccc(C)c2)c2Br)=O)c(-c2ccccc2)c1)=O

InChI

InChI=1S/C25H27BrN2O3/c1-4-31-25(30)20-16-23(19-9-6-5-7-10-19)28(18(20)3)14-8-11-24(29)27-22-13-12-17(2)15-21(22)26/h5-7,9-10,12-13,15-16H,4,8,11,14H2,1-3H3,(H,27,29)

InChI Key

LULFBPPWNGWCGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.400

Distribution Coefficient, logD

5.400

Water Solubility, LogSw

-5.27

Polar Surface Area

44.101

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

K906-3173 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K906-3173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-3173?
Check Price and Availability of K906-3173, 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 K906-3173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-3173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-3173
  • 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 K906-3173 available by request