V013-5271 Screening compound: ethyl 4-{[4-(3-{[(thiophen-2-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate

V013-5271 Screening compound: ethyl 4-{[4-(3-{[(thiophen-2-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate
V013-5271 Screening compound: ethyl 4-{[4-(3-{[(thiophen-2-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5271
ethyl 4-{[4-(3-{[(thiophen-2-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate

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

V013-5271

Molecular Formula

C22H29N5O4S (C22 H29 N5 O4 S)

Compound Name

ethyl 4-{[4-(3-{[(thiophen-2-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate

IUPAC name

ethyl 4-{[4-(3-{[(thiophen-2-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate

SMILES

CCOC(CCCNC(N(CC1)CCN1c(nccc1)c1C(NCc1cccs1)=O)=O)=O

InChI

InChI=1S/C22H29N5O4S/c1-2-31-19(28)8-4-10-24-22(30)27-13-11-26(12-14-27)20-18(7-3-9-23-20)21(29)25-16-17-6-5-15-32-17/h3,5-7,9,15H,2,4,8,10-14,16H2,1H3,(H,24,30)(H,25,29)

InChI Key

SJOOHJLCMSMFKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946517

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.585

Water Solubility, LogSw

-3.14

Polar Surface Area

84.974

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with V013-5271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5271?
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What is the minimum amount of V013-5271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5271
  • 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 V013-5271 available by request