D516-0288 Screening compound: N-{2-[1-methyl-5-(3-methylbutanamido)-1H-1,3-benzodiazol-2-yl]ethyl}cyclopropanecarboxamide

D516-0288 Screening compound: N-{2-[1-methyl-5-(3-methylbutanamido)-1H-1,3-benzodiazol-2-yl]ethyl}cyclopropanecarboxamide
D516-0288 Screening compound: N-{2-[1-methyl-5-(3-methylbutanamido)-1H-1,3-benzodiazol-2-yl]ethyl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0288
N-{2-[1-methyl-5-(3-methylbutanamido)-1H-1,3-benzodiazol-2-yl]ethyl}cyclopropanecarboxamide

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

D516-0288

Molecular Formula

C19H26N4O2 (C19 H26 N4 O2)

Compound Name

N-{2-[1-methyl-5-(3-methylbutanamido)-1H-1,3-benzodiazol-2-yl]ethyl}cyclopropanecarboxamide

IUPAC name

N-{2-[1-methyl-5-(3-methylbutanamido)-1H-13-benzodiazol-2-yl]ethyl}cyclopropanecarboxamide

SMILES

CC(C)CC(Nc(cc1)cc2c1n(C)c(CCNC(C1CC1)=O)n2)=O

InChI

InChI=1S/C19H26N4O2/c1-12(2)10-18(24)21-14-6-7-16-15(11-14)22-17(23(16)3)8-9-20-19(25)13-4-5-13/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,20,25)(H,21,24)

InChI Key

HNRYPCHSFZCUGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.491

Distribution Coefficient, logD

2.386

Water Solubility, LogSw

-3.05

Polar Surface Area

60.152

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

D516-0288 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D516-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0288?
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What is the minimum amount of D516-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0288
  • 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 D516-0288 available by request