V012-7978 Screening compound: {5-[2-(3,4-dimethylbenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]furan-2-yl}methyl acetate

V012-7978 Screening compound: {5-[2-(3,4-dimethylbenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]furan-2-yl}methyl acetate
V012-7978 Screening compound: {5-[2-(3,4-dimethylbenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]furan-2-yl}methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-7978
{5-[2-(3,4-dimethylbenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]furan-2-yl}methyl acetate

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

V012-7978

Molecular Formula

C28H28N2O5 (C28 H28 N2 O5)

Compound Name

{5-[2-(3,4-dimethylbenzoyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]furan-2-yl}methyl acetate

IUPAC name

{5-[2-(34-dimethylbenzoyl)-6-methoxy-1H2H3H4H9H-pyrido[34-b]indol-1-yl]furan-2-yl}methyl acetate

SMILES

CC(OCc1ccc(C(c2c(CC3)c(cc(cc4)OC)c4[nH]2)N3C(c2cc(C)c(C)cc2)=O)o1)=O

InChI

InChI=1S/C28H28N2O5/c1-16-5-6-19(13-17(16)2)28(32)30-12-11-22-23-14-20(33-4)7-9-24(23)29-26(22)27(30)25-10-8-21(35-25)15-34-18(3)31/h5-10,13-14,27,29H,11-12,15H2,1-4H3/t27-/m0/s1

InChI Key

JLMGIALCHTZZFL-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19965600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.667

Distribution Coefficient, logD

5.667

Water Solubility, LogSw

-5.56

Polar Surface Area

62.688

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V012-7978 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V012-7978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7978?
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What is the minimum amount of V012-7978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7978
  • 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 V012-7978 available by request