V016-6153 Screening compound: propan-2-yl 1-ethyl-6-methyl-4-{4-[(2E)-3-phenylprop-2-enamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V016-6153 Screening compound: propan-2-yl 1-ethyl-6-methyl-4-{4-[(2E)-3-phenylprop-2-enamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V016-6153 Screening compound: propan-2-yl 1-ethyl-6-methyl-4-{4-[(2E)-3-phenylprop-2-enamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6153
propan-2-yl 1-ethyl-6-methyl-4-{4-[(2E)-3-phenylprop-2-enamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-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

V016-6153

Molecular Formula

C26H29N3O3S (C26 H29 N3 O3 S)

Compound Name

propan-2-yl 1-ethyl-6-methyl-4-{4-[(2E)-3-phenylprop-2-enamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 1-ethyl-6-methyl-4-{4-[(2E)-3-phenylprop-2-enamido]phenyl}-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(C)=C(C(c(cc1)ccc1NC(/C=C/c1ccccc1)=O)N1)C(OC(C)C)=O)C1=S

InChI

InChI=1S/C26H29N3O3S/c1-5-29-18(4)23(25(31)32-17(2)3)24(28-26(29)33)20-12-14-21(15-13-20)27-22(30)16-11-19-9-7-6-8-10-19/h6-17,24H,5H2,1-4H3,(H,27,30)(H,28,33)/t24-/m1/s1

InChI Key

QXUUEIBMOWFVPK-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19723431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.944

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-4.47

Polar Surface Area

57.782

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

V016-6153 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-6153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6153?
Check Price and Availability of V016-6153, 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 V016-6153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6153
  • 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 V016-6153 available by request