V006-7693 Screening compound: methyl 5-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)-5-oxopentanoate

V006-7693 Screening compound: methyl 5-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)-5-oxopentanoate
V006-7693 Screening compound: methyl 5-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-7693
methyl 5-(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl)-5-oxopentanoate

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

V006-7693

Molecular Formula

C29H27F3N2O5 (C29 H27 F3 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

COC(CCCC(N(CC1)C(c2ccc(-c3c(C(F)(F)F)cccc3)o2)c2c1c(cc(cc1)OC)c1[nH]2)=O)=O

InChI

InChI=1S/C29H27F3N2O5/c1-37-17-10-11-22-20(16-17)18-14-15-34(25(35)8-5-9-26(36)38-2)28(27(18)33-22)24-13-12-23(39-24)19-6-3-4-7-21(19)29(30,31)32/h3-4,6-7,10-13,16,28,33H,5,8-9,14-15H2,1-2H3/t28-/m0/s1

InChI Key

ZJWOSSALAJPSMU-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19965560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.543

Distribution Coefficient, logD

5.543

Water Solubility, LogSw

-5.56

Polar Surface Area

62.338

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

V006-7693 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V006-7693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-7693?
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What is the minimum amount of V006-7693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-7693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-7693
  • 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 V006-7693 available by request