D731-0553 Screening compound: methyl 4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate

D731-0553 Screening compound: methyl 4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
D731-0553 Screening compound: methyl 4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0553
methyl 4-[(2,5-dichlorophenyl)methyl]-2-methyl-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

D731-0553

Molecular Formula

C14H13Cl2NO2 (C14 H13 Cl2 NO2)

Compound Name

methyl 4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate

IUPAC name

methyl 4-[(25-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(Cc(cc(cc2)Cl)c2Cl)c[nH]1

InChI

InChI=1S/C14H13Cl2NO2/c1-8-13(14(18)19-2)10(7-17-8)5-9-6-11(15)3-4-12(9)16/h3-4,6-7,17H,5H2,1-2H3

InChI Key

IXVAKBNYHZNEIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06386713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.17

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.328

Distribution Coefficient, logD

4.328

Water Solubility, LogSw

-4.64

Polar Surface Area

31.873

Acid Dissociation Constant (pKa)

16.22

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D731-0553 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D731-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0553?
Check Price and Availability of D731-0553, 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 D731-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0553
  • 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 D731-0553 available by request