3792-0402 Screening compound: 1-(3,4-dimethylbenzoyl)-3-(2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

3792-0402 Screening compound: 1-(3,4-dimethylbenzoyl)-3-(2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea
3792-0402 Screening compound: 1-(3,4-dimethylbenzoyl)-3-(2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3792-0402
1-(3,4-dimethylbenzoyl)-3-(2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)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

3792-0402

Molecular Formula

C23H20N4O2S (C23 H20 N4 O2 S)

Compound Name

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

IUPAC name

1-(34-dimethylbenzoyl)-3-(2-methyl-5-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)thiourea

SMILES

Cc(cc1)c(C)cc1C(NC(Nc1c(C)ccc(-c2nc(nccc3)c3o2)c1)=S)=O

InChI

InChI=1S/C23H20N4O2S/c1-13-6-8-16(11-15(13)3)21(28)27-23(30)25-18-12-17(9-7-14(18)2)22-26-20-19(29-22)5-4-10-24-20/h4-12H,1-3H3,(H2,25,27,28,30)

InChI Key

KQFXRTRMIZTQJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02734526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

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

5.211

Distribution Coefficient, logD

5.203

Water Solubility, LogSw

-4.97

Polar Surface Area

59.726

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

3792-0402 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3792-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3792-0402?
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What is the minimum amount of 3792-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3792-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3792-0402
  • 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 3792-0402 available by request