V003-9916 Screening compound: N-benzyl-3-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpropanamide

V003-9916 Screening compound: N-benzyl-3-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpropanamide
V003-9916 Screening compound: N-benzyl-3-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9916
N-benzyl-3-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpropanamide

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

V003-9916

Molecular Formula

C25H26Cl2N4O3 (C25 H26 Cl2 N4 O3)

Compound Name

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

IUPAC name

N-benzyl-3-[4-(24-dichlorophenyl)-1-ethyl-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-methylpropanamide

SMILES

CCN(C(CN1CCC(N(C)Cc2ccccc2)=O)=C(C(c(ccc(Cl)c2)c2Cl)N2)C1=O)C2=O

InChI

InChI=1S/C25H26Cl2N4O3/c1-3-31-20-15-30(12-11-21(32)29(2)14-16-7-5-4-6-8-16)24(33)22(20)23(28-25(31)34)18-10-9-17(26)13-19(18)27/h4-10,13,23H,3,11-12,14-15H2,1-2H3,(H,28,34)/t23-/m1/s1

InChI Key

SOXOLKXCBHWERL-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19936792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.079

Distribution Coefficient, logD

4.038

Water Solubility, LogSw

-4.37

Polar Surface Area

60.334

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V003-9916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9916?
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What is the minimum amount of V003-9916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9916
  • 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 V003-9916 available by request