V031-1095 Screening compound: 1-(4-bromothiophen-2-yl)-2-(4-ethylbenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

V031-1095 Screening compound: 1-(4-bromothiophen-2-yl)-2-(4-ethylbenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
V031-1095 Screening compound: 1-(4-bromothiophen-2-yl)-2-(4-ethylbenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1095
1-(4-bromothiophen-2-yl)-2-(4-ethylbenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-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

V031-1095

Molecular Formula

C25H23BrN2O2S (C25 H23 BrN2 O2 S)

Compound Name

1-(4-bromothiophen-2-yl)-2-(4-ethylbenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

IUPAC name

1-(4-bromothiophen-2-yl)-2-(4-ethylbenzoyl)-6-methoxy-1H2H3H4H9H-pyrido[34-b]indole

SMILES

CCc(cc1)ccc1C(N(CC1)C(c2cc(Br)cs2)c2c1c(cc(cc1)OC)c1[nH]2)=O

InChI

InChI=1S/C25H23BrN2O2S/c1-3-15-4-6-16(7-5-15)25(29)28-11-10-19-20-13-18(30-2)8-9-21(20)27-23(19)24(28)22-12-17(26)14-31-22/h4-9,12-14,24,27H,3,10-11H2,1-2H3/t24-/m0/s1

InChI Key

XXUJKCQMQMEPOI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19965864

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.773

Distribution Coefficient, logD

6.773

Water Solubility, LogSw

-5.73

Polar Surface Area

34.634

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

V031-1095 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V031-1095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1095?
Check Price and Availability of V031-1095, 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 V031-1095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1095
  • 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 V031-1095 available by request