V029-1138 Screening compound: 2-chloro-1-(5-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-1-ethanone

V029-1138 Screening compound: 2-chloro-1-(5-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-1-ethanone
V029-1138 Screening compound: 2-chloro-1-(5-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1138
2-chloro-1-(5-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-1-ethanone

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

V029-1138

Molecular Formula

C14H15ClN2O (C14 H15 ClN2 O)

Compound Name

2-chloro-1-(5-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-1-ethanone

IUPAC name

n/a

SMILES

Cn1c(cccc2)c2c(C2)c1CCN2C(CCl)=O

InChI

InChI=1S/C14H15ClN2O/c1-16-12-5-3-2-4-10(12)11-9-17(14(18)8-15)7-6-13(11)16/h2-5H,6-9H2,1H3

InChI Key

YYGRVRJBPRKNCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14289428

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

262.74

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.731

Distribution Coefficient, logD

1.731

Water Solubility, LogSw

-2.11

Polar Surface Area

18.560

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

V029-1138 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V029-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1138?
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What is the minimum amount of V029-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1138
  • 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 V029-1138 available by request