V013-7377 Screening compound: 1-[(3,4-difluorophenyl)methyl]-4-ethyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

V013-7377 Screening compound: 1-[(3,4-difluorophenyl)methyl]-4-ethyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
V013-7377 Screening compound: 1-[(3,4-difluorophenyl)methyl]-4-ethyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7377
1-[(3,4-difluorophenyl)methyl]-4-ethyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

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

V013-7377

Molecular Formula

C24H26F2N2O2 (C24 H26 F2 N2 O2)

Compound Name

1-[(3,4-difluorophenyl)methyl]-4-ethyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

IUPAC name

1-[(34-difluorophenyl)methyl]-4-ethyl-N-(2-methoxy-5-methylphenyl)-35-dimethyl-1H-pyrrole-2-carboxamide

SMILES

CCc1c(C)n(Cc(cc2)cc(F)c2F)c(C(Nc(cc(C)cc2)c2OC)=O)c1C

InChI

InChI=1S/C24H26F2N2O2/c1-6-18-15(3)23(24(29)27-21-11-14(2)7-10-22(21)30-5)28(16(18)4)13-17-8-9-19(25)20(26)12-17/h7-12H,6,13H2,1-5H3,(H,27,29)

InChI Key

XCNJMGNMNLMOGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13268129

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

412.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.657

Distribution Coefficient, logD

5.657

Water Solubility, LogSw

-5.38

Polar Surface Area

30.989

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V013-7377 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-7377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7377?
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What is the minimum amount of V013-7377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7377
  • 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 V013-7377 available by request