4151-0316 Screening compound: 2-[(1,3-benzothiazol-2-yl)amino]-N-(4-chloro-2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide

4151-0316 Screening compound: 2-[(1,3-benzothiazol-2-yl)amino]-N-(4-chloro-2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide
4151-0316 Screening compound: 2-[(1,3-benzothiazol-2-yl)amino]-N-(4-chloro-2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4151-0316
2-[(1,3-benzothiazol-2-yl)amino]-N-(4-chloro-2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide

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

4151-0316

Molecular Formula

C19H16ClN5O2S (C19 H16 ClN5 O2 S)

Compound Name

2-[(1,3-benzothiazol-2-yl)amino]-N-(4-chloro-2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide

IUPAC name

2-[(13-benzothiazol-2-yl)amino]-N-(4-chloro-2-methylphenyl)-6-oxo-1456-tetrahydropyrimidine-4-carboxamide

SMILES

Cc(cc(cc1)Cl)c1NC(C(C1)N=C(Nc2nc(cccc3)c3s2)NC1=O)=O

InChI

InChI=1S/C19H16ClN5O2S/c1-10-8-11(20)6-7-12(10)21-17(27)14-9-16(26)24-18(22-14)25-19-23-13-4-2-3-5-15(13)28-19/h2-8,14H,9H2,1H3,(H,21,27)(H2,22,23,24,25,26)/t14-/m0/s1

InChI Key

LNTOCVANPNUGLC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02817145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

2.574

Water Solubility, LogSw

-4.50

Polar Surface Area

77.481

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

4151-0316 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4151-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4151-0316?
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What is the minimum amount of 4151-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4151-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4151-0316
  • 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 4151-0316 available by request