L748-0458 Screening compound: 1-(2-{[(3,5-dimethylanilino)carbonyl]amino}ethyl)-N~5~,N~5~-dimethyl-1H-1,3-benzimidazole-5-carboxamide

L748-0458 Screening compound: 1-(2-{[(3,5-dimethylanilino)carbonyl]amino}ethyl)-N~5~,N~5~-dimethyl-1H-1,3-benzimidazole-5-carboxamide
L748-0458 Screening compound: 1-(2-{[(3,5-dimethylanilino)carbonyl]amino}ethyl)-N~5~,N~5~-dimethyl-1H-1,3-benzimidazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L748-0458
1-(2-{[(3,5-dimethylanilino)carbonyl]amino}ethyl)-N~5~,N~5~-dimethyl-1H-1,3-benzimidazole-5-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

L748-0458

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

1-(2-{[(3,5-dimethylanilino)carbonyl]amino}ethyl)-N~5~,N~5~-dimethyl-1H-1,3-benzimidazole-5-carboxamide

IUPAC name

n/a

SMILES

Cc1cc(NC(NCCn2c(ccc(C(N(C)C)=O)c3)c3nc2)=O)cc(C)c1

InChI

InChI=1S/C21H25N5O2/c1-14-9-15(2)11-17(10-14)24-21(28)22-7-8-26-13-23-18-12-16(5-6-19(18)26)20(27)25(3)4/h5-6,9-13H,7-8H2,1-4H3,(H2,22,24,28)

InChI Key

JXSJSJVVVYXFNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.757

Distribution Coefficient, logD

1.755

Water Solubility, LogSw

-2.29

Polar Surface Area

60.140

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L748-0458 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L748-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L748-0458?
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What is the minimum amount of L748-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L748-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L748-0458
  • 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 L748-0458 available by request