V027-5101 Screening compound: ethyl 3-[(2-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)(1-phenylethyl)carbamoyl]propanoate

V027-5101 Screening compound: ethyl 3-[(2-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)(1-phenylethyl)carbamoyl]propanoate
V027-5101 Screening compound: ethyl 3-[(2-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)(1-phenylethyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5101
ethyl 3-[(2-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)(1-phenylethyl)carbamoyl]propanoate

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

V027-5101

Molecular Formula

C26H30N4O4S (C26 H30 N4 O4 S)

Compound Name

ethyl 3-[(2-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)(1-phenylethyl)carbamoyl]propanoate

IUPAC name

ethyl 3-[(2-{[5-(4-methylphenyl)-134-thiadiazol-2-yl]carbamoyl}ethyl)(1-phenylethyl)carbamoyl]propanoate

SMILES

CCOC(CCC(N(CCC(Nc1nnc(-c2ccc(C)cc2)s1)=O)C(C)c1ccccc1)=O)=O

InChI

InChI=1S/C26H30N4O4S/c1-4-34-24(33)15-14-23(32)30(19(3)20-8-6-5-7-9-20)17-16-22(31)27-26-29-28-25(35-26)21-12-10-18(2)11-13-21/h5-13,19H,4,14-17H2,1-3H3,(H,27,29,31)/t19-/m0/s1

InChI Key

PKGOJNFEULAQMR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19716818

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.753

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-4.31

Polar Surface Area

81.846

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

V027-5101 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V027-5101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5101?
Check Price and Availability of V027-5101, 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 V027-5101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5101
  • 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 V027-5101 available by request