V007-0946 Screening compound: (5-{2-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}furan-2-yl)methyl acetate

V007-0946 Screening compound: (5-{2-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}furan-2-yl)methyl acetate
V007-0946 Screening compound: (5-{2-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-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 V007-0946
(5-{2-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-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

V007-0946

Molecular Formula

C31H26ClN3O6 (C31 H26 ClN3 O6)

Compound Name

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

IUPAC name

(5-{2-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-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(c2cccnc2Oc(cc2)ccc2Cl)=O)o1)=O

InChI

InChI=1S/C31H26ClN3O6/c1-18(36)39-17-22-10-12-27(40-22)29-28-23(25-16-21(38-2)9-11-26(25)34-28)13-15-35(29)31(37)24-4-3-14-33-30(24)41-20-7-5-19(32)6-8-20/h3-12,14,16,29,34H,13,15,17H2,1-2H3/t29-/m0/s1

InChI Key

VPSDQCSSBLXWTO-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19965619

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

572.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.384

Distribution Coefficient, logD

6.384

Water Solubility, LogSw

-6.22

Polar Surface Area

79.241

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

V007-0946 in Drug Discovery

Included in Screening Libraries

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:
  • 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 V007-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-0946?
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What is the minimum amount of V007-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-0946
  • 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 V007-0946 available by request