V004-2321 Screening compound: 2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-(2-methoxyethyl)-3-methylbutanamide

V004-2321 Screening compound: 2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-(2-methoxyethyl)-3-methylbutanamide
V004-2321 Screening compound: 2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-(2-methoxyethyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2321
2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-(2-methoxyethyl)-3-methylbutanamide

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

V004-2321

Molecular Formula

C23H29F3N4O4 (C23 H29 F3 N4 O4)

Compound Name

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

IUPAC name

2-{1-ethyl-25-dioxo-4-[2-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl}-N-(2-methoxyethyl)-3-methylbutanamide

SMILES

CCN(C(CN1C(C(C)C)C(NCCOC)=O)=C(C(c2c(C(F)(F)F)cccc2)N2)C1=O)C2=O

InChI

InChI=1S/C23H29F3N4O4/c1-5-29-16-12-30(19(13(2)3)20(31)27-10-11-34-4)21(32)17(16)18(28-22(29)33)14-8-6-7-9-15(14)23(24,25)26/h6-9,13,18-19H,5,10-12H2,1-4H3,(H,27,31)(H,28,33)

InChI Key

UTDPNJHGVYEHIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19804971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.689

Distribution Coefficient, logD

2.615

Water Solubility, LogSw

-3.16

Polar Surface Area

76.728

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.20

V004-2321 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-2321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2321?
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What is the minimum amount of V004-2321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2321
  • 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 V004-2321 available by request