V016-8197 Screening compound: ethyl 4-[2-(2-{2-[1-(2,4-dichlorophenyl)-N-(2-methylpropyl)formamido]acetamido}-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate

V016-8197 Screening compound: ethyl 4-[2-(2-{2-[1-(2,4-dichlorophenyl)-N-(2-methylpropyl)formamido]acetamido}-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
V016-8197 Screening compound: ethyl 4-[2-(2-{2-[1-(2,4-dichlorophenyl)-N-(2-methylpropyl)formamido]acetamido}-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8197
ethyl 4-[2-(2-{2-[1-(2,4-dichlorophenyl)-N-(2-methylpropyl)formamido]acetamido}-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate

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

V016-8197

Molecular Formula

C25H31Cl2N5O5S (C25 H31 Cl2 N5 O5 S)

Compound Name

ethyl 4-[2-(2-{2-[1-(2,4-dichlorophenyl)-N-(2-methylpropyl)formamido]acetamido}-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-(2-{2-[1-(24-dichlorophenyl)-N-(2-methylpropyl)formamido]acetamido}-13-thiazol-4-yl)acetyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(Cc1csc(NC(CN(CC(C)C)C(c(ccc(Cl)c2)c2Cl)=O)=O)n1)=O)=O

InChI

InChI=1S/C25H31Cl2N5O5S/c1-4-37-25(36)31-9-7-30(8-10-31)22(34)12-18-15-38-24(28-18)29-21(33)14-32(13-16(2)3)23(35)19-6-5-17(26)11-20(19)27/h5-6,11,15-16H,4,7-10,12-14H2,1-3H3,(H,28,29,33)

InChI Key

UUMLHXBOLNSSLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19756336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.264

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.58

Polar Surface Area

89.042

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V016-8197 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-8197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8197?
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What is the minimum amount of V016-8197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8197
  • 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 V016-8197 available by request