8016-6135 Screening compound: 2-(4-{[(1-benzyl-2-ethoxy-2-oxoethyl)amino]carbothioyl}piperazino)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

8016-6135 Screening compound: 2-(4-{[(1-benzyl-2-ethoxy-2-oxoethyl)amino]carbothioyl}piperazino)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
8016-6135 Screening compound: 2-(4-{[(1-benzyl-2-ethoxy-2-oxoethyl)amino]carbothioyl}piperazino)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6135
2-(4-{[(1-benzyl-2-ethoxy-2-oxoethyl)amino]carbothioyl}piperazino)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

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

8016-6135

Molecular Formula

C26H30N6O5S (C26 H30 N6 O5 S)

Compound Name

2-(4-{[(1-benzyl-2-ethoxy-2-oxoethyl)amino]carbothioyl}piperazino)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

IUPAC name

n/a

SMILES

CCN(C=C1C(O)=O)c(nc(N(CC2)CCN2C(NC(Cc2ccccc2)C(OCC)=O)=S)nc2)c2C1=O

InChI

InChI=1S/C26H30N6O5S/c1-3-30-16-19(23(34)35)21(33)18-15-27-25(29-22(18)30)31-10-12-32(13-11-31)26(38)28-20(24(36)37-4-2)14-17-8-6-5-7-9-17/h5-9,15-16,20H,3-4,10-14H2,1-2H3,(H,28,38)(H,34,35)/t20-/m0/s1

InChI Key

DBNRAVCSPPSJCZ-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.359

Distribution Coefficient, logD

-0.778

Water Solubility, LogSw

-2.53

Polar Surface Area

99.135

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8016-6135 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-6135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6135?
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What is the minimum amount of 8016-6135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6135
  • 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 8016-6135 available by request