8016-6133 Screening compound: 8-ethyl-2-[4-({[5-methoxy-1-(methoxycarbonyl)-5-oxopentyl]amino}carbothioyl)piperazino]-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

8016-6133 Screening compound: 8-ethyl-2-[4-({[5-methoxy-1-(methoxycarbonyl)-5-oxopentyl]amino}carbothioyl)piperazino]-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
8016-6133 Screening compound: 8-ethyl-2-[4-({[5-methoxy-1-(methoxycarbonyl)-5-oxopentyl]amino}carbothioyl)piperazino]-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6133
8-ethyl-2-[4-({[5-methoxy-1-(methoxycarbonyl)-5-oxopentyl]amino}carbothioyl)piperazino]-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

8016-6133

Molecular Formula

C23H30N6O7S (C23 H30 N6 O7 S)

Compound Name

8-ethyl-2-[4-({[5-methoxy-1-(methoxycarbonyl)-5-oxopentyl]amino}carbothioyl)piperazino]-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(CCCC(OC)=O)C(OC)=O)=S)nc2)c2C1=O

InChI

InChI=1S/C23H30N6O7S/c1-4-27-13-15(20(32)33)18(31)14-12-24-22(26-19(14)27)28-8-10-29(11-9-28)23(37)25-16(21(34)36-3)6-5-7-17(30)35-2/h12-13,16H,4-11H2,1-3H3,(H,25,37)(H,32,33)/t16-/m0/s1

InChI Key

VTBSZHRGLBKPOQ-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.59

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

-0.389

Distribution Coefficient, logD

-2.526

Water Solubility, LogSw

-2.12

Polar Surface Area

120.405

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with 8016-6133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6133?
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What is the minimum amount of 8016-6133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6133
  • 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 8016-6133 available by request