V002-1100 Screening compound: 3-{N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)formamido}-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

V002-1100 Screening compound: 3-{N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)formamido}-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
V002-1100 Screening compound: 3-{N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)formamido}-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1100
3-{N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)formamido}-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-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

V002-1100

Molecular Formula

C30H32N4O5S (C30 H32 N4 O5 S)

Compound Name

3-{N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)formamido}-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

IUPAC name

3-{N-[2-(34-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)formamido}-N-[5-(4-methylphenyl)-134-thiadiazol-2-yl]propanamide

SMILES

Cc(cc1)ccc1-c1nnc(NC(CCN(CCc(cc2)cc(OC)c2OC)C(c(cccc2)c2OC)=O)=O)s1

InChI

InChI=1S/C30H32N4O5S/c1-20-9-12-22(13-10-20)28-32-33-30(40-28)31-27(35)16-18-34(29(36)23-7-5-6-8-24(23)37-2)17-15-21-11-14-25(38-3)26(19-21)39-4/h5-14,19H,15-18H2,1-4H3,(H,31,33,35)

InChI Key

PDQPUWAUQHYXNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19716813

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

560.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-4.21

Polar Surface Area

85.449

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

V002-1100 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V002-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1100?
Check Price and Availability of V002-1100, 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 V002-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1100
  • 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 V002-1100 available by request