V008-6204 Screening compound: 1-(4-bromothiophen-2-yl)-6-methoxy-2-(5-nitrofuran-2-carbonyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

V008-6204 Screening compound: 1-(4-bromothiophen-2-yl)-6-methoxy-2-(5-nitrofuran-2-carbonyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
V008-6204 Screening compound: 1-(4-bromothiophen-2-yl)-6-methoxy-2-(5-nitrofuran-2-carbonyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6204
1-(4-bromothiophen-2-yl)-6-methoxy-2-(5-nitrofuran-2-carbonyl)-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

V008-6204

Molecular Formula

C21H16BrN3O5S (C21 H16 BrN3 O5 S)

Compound Name

1-(4-bromothiophen-2-yl)-6-methoxy-2-(5-nitrofuran-2-carbonyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

IUPAC name

1-(4-bromothiophen-2-yl)-6-methoxy-2-(5-nitrofuran-2-carbonyl)-1H2H3H4H9H-pyrido[34-b]indole

SMILES

COc(cc1)cc2c1[nH]c(C1c3cc(Br)cs3)c2CCN1C(c1ccc([N+]([O-])=O)o1)=O

InChI

InChI=1S/C21H16BrN3O5S/c1-29-12-2-3-15-14(9-12)13-6-7-24(21(26)16-4-5-18(30-16)25(27)28)20(19(13)23-15)17-8-11(22)10-31-17/h2-5,8-10,20,23H,6-7H2,1H3/t20-/m0/s1

InChI Key

UKGNYGZPLVFRMT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19965890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.985

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-4.80

Polar Surface Area

77.294

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

V008-6204 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V008-6204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6204?
Check Price and Availability of V008-6204, 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 V008-6204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6204
  • 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 V008-6204 available by request