L748-0400 Screening compound: 1-(2-{[(isopropylamino)carbonyl]amino}ethyl)-N~5~,N~5~-dimethyl-1H-1,3-benzimidazole-5-carboxamide

L748-0400 Screening compound: 1-(2-{[(isopropylamino)carbonyl]amino}ethyl)-N~5~,N~5~-dimethyl-1H-1,3-benzimidazole-5-carboxamide
L748-0400 Screening compound: 1-(2-{[(isopropylamino)carbonyl]amino}ethyl)-N~5~,N~5~-dimethyl-1H-1,3-benzimidazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L748-0400
1-(2-{[(isopropylamino)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

L748-0400

Molecular Formula

C16H23N5O2 (C16 H23 N5 O2)

Compound Name

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

IUPAC name

NN-dimethyl-1-(2-{[(propan-2-yl)carbamoyl]amino}ethyl)-1H-13-benzodiazole-5-carboxamide

SMILES

CC(C)NC(NCCn1c(ccc(C(N(C)C)=O)c2)c2nc1)=O

InChI

InChI=1S/C16H23N5O2/c1-11(2)19-16(23)17-7-8-21-10-18-13-9-12(5-6-14(13)21)15(22)20(3)4/h5-6,9-11H,7-8H2,1-4H3,(H2,17,19,23)

InChI Key

PAPCPCQRFZZSTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

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

-0.190

Distribution Coefficient, logD

-0.192

Water Solubility, LogSw

-1.93

Polar Surface Area

60.708

Acid Dissociation Constant (pKa)

16.12

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

L748-0400 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L748-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L748-0400?
Check Price and Availability of L748-0400, 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 L748-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L748-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L748-0400
  • 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 L748-0400 available by request