V004-4675 Screening compound: N-benzyl-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methylbutanamide

V004-4675 Screening compound: N-benzyl-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methylbutanamide
V004-4675 Screening compound: N-benzyl-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4675
N-benzyl-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-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

V004-4675

Molecular Formula

C32H34N4O4 (C32 H34 N4 O4)

Compound Name

N-benzyl-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methylbutanamide

IUPAC name

N-benzyl-2-[1-ethyl-25-dioxo-4-(3-phenoxyphenyl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-3-methylbutanamide

SMILES

CCN(C(CN1C(C(C)C)C(NCc2ccccc2)=O)=C(C(c2cc(Oc3ccccc3)ccc2)N2)C1=O)C2=O

InChI

InChI=1S/C32H34N4O4/c1-4-35-26-20-36(29(21(2)3)30(37)33-19-22-12-7-5-8-13-22)31(38)27(26)28(34-32(35)39)23-14-11-17-25(18-23)40-24-15-9-6-10-16-24/h5-18,21,28-29H,4,19-20H2,1-3H3,(H,33,37)(H,34,39)

InChI Key

JWQCHYHXEKVZFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.65

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

4.746

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-4.46

Polar Surface Area

75.021

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.10

V004-4675 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V004-4675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4675?
Check Price and Availability of V004-4675, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-4675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4675
  • 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 V004-4675 available by request