V013-2693 Screening compound: N-[2-(dimethylamino)ethyl]-3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide

V013-2693 Screening compound: N-[2-(dimethylamino)ethyl]-3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide
V013-2693 Screening compound: N-[2-(dimethylamino)ethyl]-3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-2693
N-[2-(dimethylamino)ethyl]-3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide

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

V013-2693

Molecular Formula

C27H33N5O4 (C27 H33 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(CN1CCC(NCCN(C)C)=O)=C(C(c2cc(Oc3ccccc3)ccc2)N2)C1=O)C2=O

InChI

InChI=1S/C27H33N5O4/c1-4-32-22-18-31(15-13-23(33)28-14-16-30(2)3)26(34)24(22)25(29-27(32)35)19-9-8-12-21(17-19)36-20-10-6-5-7-11-20/h5-12,17,25H,4,13-16,18H2,1-3H3,(H,28,33)(H,29,35)/t25-/m0/s1

InChI Key

AAJFECXZHZGAOI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19805047

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.974

Distribution Coefficient, logD

0.428

Water Solubility, LogSw

-2.74

Polar Surface Area

79.638

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

8.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

V013-2693 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V013-2693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-2693?
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What is the minimum amount of V013-2693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-2693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-2693
  • 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 V013-2693 available by request