V025-0629 Screening compound: ethyl 4-{[(1-{[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2-phenylethyl)carbamoyl]amino}benzoate

V025-0629 Screening compound: ethyl 4-{[(1-{[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2-phenylethyl)carbamoyl]amino}benzoate
V025-0629 Screening compound: ethyl 4-{[(1-{[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2-phenylethyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0629
ethyl 4-{[(1-{[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2-phenylethyl)carbamoyl]amino}benzoate

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

V025-0629

Molecular Formula

C28H27N5O5S (C28 H27 N5 O5 S)

Compound Name

ethyl 4-{[(1-{[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2-phenylethyl)carbamoyl]amino}benzoate

IUPAC name

ethyl 4-{[(1-{[5-(4-methoxyphenyl)-134-thiadiazol-2-yl]carbamoyl}-2-phenylethyl)carbamoyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(NC(Cc1ccccc1)C(Nc1nnc(-c(cc2)ccc2OC)s1)=O)=O)=O

InChI

InChI=1S/C28H27N5O5S/c1-3-38-26(35)20-9-13-21(14-10-20)29-27(36)30-23(17-18-7-5-4-6-8-18)24(34)31-28-33-32-25(39-28)19-11-15-22(37-2)16-12-19/h4-16,23H,3,17H2,1-2H3,(H2,29,30,36)(H,31,33,34)/t23-/m0/s1

InChI Key

NNKADYQQYUDRHC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD20007003

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.562

Distribution Coefficient, logD

5.562

Water Solubility, LogSw

-5.48

Polar Surface Area

108.156

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

V025-0629 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V025-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0629?
Check Price and Availability of V025-0629, 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 V025-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0629
  • 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 V025-0629 available by request