G745-0247 Screening compound: 1-(3,4-dimethylphenyl)-N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-5-oxopyrrolidine-3-carboxamide

G745-0247 Screening compound: 1-(3,4-dimethylphenyl)-N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-5-oxopyrrolidine-3-carboxamide
G745-0247 Screening compound: 1-(3,4-dimethylphenyl)-N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G745-0247
1-(3,4-dimethylphenyl)-N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-5-oxopyrrolidine-3-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

G745-0247

Molecular Formula

C22H24N6O3 (C22 H24 N6 O3)

Compound Name

1-(3,4-dimethylphenyl)-N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(34-dimethylphenyl)-N-{[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]methyl}-5-oxopyrrolidine-3-carboxamide

SMILES

Cc(cc1)c(C)cc1N(CC(C1)C(NCc2nnnn2-c(cc2)ccc2OC)=O)C1=O

InChI

InChI=1S/C22H24N6O3/c1-14-4-5-18(10-15(14)2)27-13-16(11-21(27)29)22(30)23-12-20-24-25-26-28(20)17-6-8-19(31-3)9-7-17/h4-10,16H,11-13H2,1-3H3,(H,23,30)/t16-/m1/s1

InChI Key

SCAGJWWUGVGQLY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD08320049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.330

Distribution Coefficient, logD

2.330

Water Solubility, LogSw

-2.81

Polar Surface Area

89.262

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

G745-0247 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G745-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G745-0247?
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What is the minimum amount of G745-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G745-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G745-0247
  • 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 G745-0247 available by request