V013-8410 Screening compound: ethyl 1-(3-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}propanoyl)piperidine-4-carboxylate

V013-8410 Screening compound: ethyl 1-(3-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}propanoyl)piperidine-4-carboxylate
V013-8410 Screening compound: ethyl 1-(3-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}propanoyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8410
ethyl 1-(3-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}propanoyl)piperidine-4-carboxylate

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

V013-8410

Molecular Formula

C26H31F3N4O5 (C26 H31 F3 N4 O5)

Compound Name

ethyl 1-(3-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}propanoyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(3-{1-ethyl-25-dioxo-4-[2-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl}propanoyl)piperidine-4-carboxylate

SMILES

CCN(C(CN1CCC(N(CC2)CCC2C(OCC)=O)=O)=C(C(c2c(C(F)(F)F)cccc2)N2)C1=O)C2=O

InChI

InChI=1S/C26H31F3N4O5/c1-3-33-19-15-32(14-11-20(34)31-12-9-16(10-13-31)24(36)38-4-2)23(35)21(19)22(30-25(33)37)17-7-5-6-8-18(17)26(27,28)29/h5-8,16,22H,3-4,9-15H2,1-2H3,(H,30,37)/t22-/m1/s1

InChI Key

IFMKNCOWRRUVGO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19978220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.366

Distribution Coefficient, logD

2.292

Water Solubility, LogSw

-2.95

Polar Surface Area

81.586

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

V013-8410 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V013-8410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8410?
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What is the minimum amount of V013-8410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8410
  • 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 V013-8410 available by request