V003-3788 Screening compound: 4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

V003-3788 Screening compound: 4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide
V003-3788 Screening compound: 4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3788
4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

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

V003-3788

Molecular Formula

C34H44N6O4S (C34 H44 N6 O4 S)

Compound Name

4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

IUPAC name

4-{[(4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

SMILES

CC(C)(C)c1nc(SCc(cc2)ccc2C(NCCN2CCOCC2)=O)nc(N2CCN(Cc(cc3)cc4c3OCO4)CC2)c1

InChI

InChI=1S/C34H44N6O4S/c1-34(2,3)30-21-31(40-14-12-39(13-15-40)22-26-6-9-28-29(20-26)44-24-43-28)37-33(36-30)45-23-25-4-7-27(8-5-25)32(41)35-10-11-38-16-18-42-19-17-38/h4-9,20-21H,10-19,22-24H2,1-3H3,(H,35,41)

InChI Key

FVYCGORAORYENA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829901

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

632.83

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.714

Distribution Coefficient, logD

3.991

Water Solubility, LogSw

-4.38

Polar Surface Area

76.978

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V003-3788 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V003-3788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3788?
Check Price and Availability of V003-3788, 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 V003-3788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3788
  • 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 V003-3788 available by request