D039-0041 Screening compound: ethyl 5-{[(4-bromophenyl)carbamoyl]amino}-2,4-dimethyl-1H-pyrrole-3-carboxylate

D039-0041 Screening compound: ethyl 5-{[(4-bromophenyl)carbamoyl]amino}-2,4-dimethyl-1H-pyrrole-3-carboxylate
D039-0041 Screening compound: ethyl 5-{[(4-bromophenyl)carbamoyl]amino}-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D039-0041
ethyl 5-{[(4-bromophenyl)carbamoyl]amino}-2,4-dimethyl-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

D039-0041

Molecular Formula

C16H18BrN3O3 (C16 H18 BrN3 O3)

Compound Name

ethyl 5-{[(4-bromophenyl)carbamoyl]amino}-2,4-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-{[(4-bromophenyl)carbamoyl]amino}-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(NC(Nc(cc2)ccc2Br)=O)c1C)=O

InChI

InChI=1S/C16H18BrN3O3/c1-4-23-15(21)13-9(2)14(18-10(13)3)20-16(22)19-12-7-5-11(17)6-8-12/h5-8,18H,4H2,1-3H3,(H2,19,20,22)

InChI Key

ZUMZARNXTMBRMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.25

Polar Surface Area

64.146

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D039-0041 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SH2 Library (10483 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D039-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D039-0041?
Check Price and Availability of D039-0041, 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 D039-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D039-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D039-0041
  • 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 D039-0041 available by request