G798-0967 Screening compound: methyl 4-{[(3,4-difluorobenzoyl)(methyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G798-0967 Screening compound: methyl 4-{[(3,4-difluorobenzoyl)(methyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G798-0967 Screening compound: methyl 4-{[(3,4-difluorobenzoyl)(methyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G798-0967
methyl 4-{[(3,4-difluorobenzoyl)(methyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-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

G798-0967

Molecular Formula

C17H18F2N2O3 (C17 H18 F2 N2 O3)

Compound Name

methyl 4-{[(3,4-difluorobenzoyl)(methyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{[1-(34-difluorophenyl)-N-methylformamido]methyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

Cc1c(C(OC)=O)[nH]c(C)c1CN(C)C(c(cc1)cc(F)c1F)=O

InChI

InChI=1S/C17H18F2N2O3/c1-9-12(10(2)20-15(9)17(23)24-4)8-21(3)16(22)11-5-6-13(18)14(19)7-11/h5-7,20H,8H2,1-4H3

InChI Key

OOMZPKARTCIROM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.13

Polar Surface Area

48.544

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

G798-0967 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G798-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G798-0967?
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What is the minimum amount of G798-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G798-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G798-0967
  • 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 G798-0967 available by request