V018-1770 Screening compound: 2-{2-[(2-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)pentanamide

V018-1770 Screening compound: 2-{2-[(2-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)pentanamide
V018-1770 Screening compound: 2-{2-[(2-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1770
2-{2-[(2-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)pentanamide

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

V018-1770

Molecular Formula

C25H31ClN4O2 (C25 H31 ClN4 O2)

Compound Name

2-{2-[(2-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}-N-(morpholin-4-yl)pentanamide

IUPAC name

2-{2-[(2-chlorophenyl)methyl]-56-dimethyl-1H-13-benzodiazol-1-yl}-N-(morpholin-4-yl)pentanamide

SMILES

CCCC(C(NN1CCOCC1)=O)n1c(cc(C)c(C)c2)c2nc1Cc(cccc1)c1Cl

InChI

InChI=1S/C25H31ClN4O2/c1-4-7-22(25(31)28-29-10-12-32-13-11-29)30-23-15-18(3)17(2)14-21(23)27-24(30)16-19-8-5-6-9-20(19)26/h5-6,8-9,14-15,22H,4,7,10-13,16H2,1-3H3,(H,28,31)/t22-/m0/s1

InChI Key

YANXVQCKYWESRO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19791840

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-5.53

Polar Surface Area

48.385

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V018-1770 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 V018-1770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1770?
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What is the minimum amount of V018-1770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1770
  • 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 V018-1770 available by request