4693-0624 Screening compound: METHYL (5Z)-1-(4-BROMOPHENYL)-5-[(FURAN-2-YL)METHYLIDENE]-2-METHYL-4-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE

4693-0624 Screening compound: METHYL (5Z)-1-(4-BROMOPHENYL)-5-[(FURAN-2-YL)METHYLIDENE]-2-METHYL-4-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE
4693-0624 Screening compound: METHYL (5Z)-1-(4-BROMOPHENYL)-5-[(FURAN-2-YL)METHYLIDENE]-2-METHYL-4-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4693-0624
METHYL (5Z)-1-(4-BROMOPHENYL)-5-[(FURAN-2-YL)METHYLIDENE]-2-METHYL-4-OXO-4,5-DIHYDRO-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

4693-0624

Molecular Formula

C18H14BrNO4 (C18 H14 BrNO4)

Compound Name

METHYL (5Z)-1-(4-BROMOPHENYL)-5-[(FURAN-2-YL)METHYLIDENE]-2-METHYL-4-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE

IUPAC name

n/a

SMILES

CC(N(/C1=C\c2ccco2)c(cc2)ccc2Br)=C(C(OC)=O)C1=O

InChI

InChI=1S/C18H14BrNO4/c1-11-16(18(22)23-2)17(21)15(10-14-4-3-9-24-14)20(11)13-7-5-12(19)6-8-13/h3-10H,1-2H3

InChI Key

VKVFWLIGSRKUMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01964142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.884

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-4.07

Polar Surface Area

43.160

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4693-0624 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4693-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4693-0624?
Check Price and Availability of 4693-0624, 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 4693-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4693-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4693-0624
  • 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 4693-0624 available by request