4028-1587 Screening compound: 3-(4-chloro-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-1-(3-chlorobenzoyl)thiourea

4028-1587 Screening compound: 3-(4-chloro-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-1-(3-chlorobenzoyl)thiourea
4028-1587 Screening compound: 3-(4-chloro-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-1-(3-chlorobenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4028-1587
3-(4-chloro-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-1-(3-chlorobenzoyl)thiourea

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

4028-1587

Molecular Formula

C20H12Cl2N4O2S (C20 H12 Cl2 N4 O2 S)

Compound Name

3-(4-chloro-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-1-(3-chlorobenzoyl)thiourea

IUPAC name

3-(4-chloro-3-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)-1-(3-chlorobenzoyl)thiourea

SMILES

O=C(c1cc(Cl)ccc1)NC(Nc(cc1)cc(-c2nc(nccc3)c3o2)c1Cl)=S

InChI

InChI=1S/C20H12Cl2N4O2S/c21-12-4-1-3-11(9-12)18(27)26-20(29)24-13-6-7-15(22)14(10-13)19-25-17-16(28-19)5-2-8-23-17/h1-10H,(H2,24,26,27,29)

InChI Key

CPECPBYKIRLAJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.373

Distribution Coefficient, logD

5.369

Water Solubility, LogSw

-5.94

Polar Surface Area

60.424

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 4028-1587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4028-1587?
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What is the minimum amount of 4028-1587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4028-1587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4028-1587
  • 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 4028-1587 available by request