4138-0046 Screening compound: 4-chloro-5H-pyrimido[5,4-b]indole

4138-0046 Screening compound: 4-chloro-5H-pyrimido[5,4-b]indole
4138-0046 Screening compound: 4-chloro-5H-pyrimido[5,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4138-0046
4-chloro-5H-pyrimido[5,4-b]indole

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

4138-0046

Molecular Formula

C10H6ClN3 (C10 H6 ClN3)

Compound Name

4-chloro-5H-pyrimido[5,4-b]indole

IUPAC name

4-chloro-5H-pyrimido[54-b]indole

SMILES

Clc1ncnc2c1[nH]c1c2cccc1

InChI

InChI=1S/C10H6ClN3/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5,14H

InChI Key

RDAAOOPSZHGKFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00457089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.63

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.260

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-2.94

Polar Surface Area

31.277

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4138-0046 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GABA Library (7115 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4138-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4138-0046?
Check Price and Availability of 4138-0046, 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 4138-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4138-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4138-0046
  • 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 4138-0046 available by request