2038-0182 Screening compound: 6,7-dimethyl-2-[(Z)-1-(4-morpholino-3-nitrophenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

2038-0182 Screening compound: 6,7-dimethyl-2-[(Z)-1-(4-morpholino-3-nitrophenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
2038-0182 Screening compound: 6,7-dimethyl-2-[(Z)-1-(4-morpholino-3-nitrophenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2038-0182
6,7-dimethyl-2-[(Z)-1-(4-morpholino-3-nitrophenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

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

2038-0182

Molecular Formula

C22H20N4O4S (C22 H20 N4 O4 S)

Compound Name

6,7-dimethyl-2-[(Z)-1-(4-morpholino-3-nitrophenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-1011-dimethyl-4-{[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

Cc(c(C)c1)cc(n2C3=O)c1nc2S/C3=C\c(cc1)cc([N+]([O-])=O)c1N1CCOCC1

InChI

InChI=1S/C22H20N4O4S/c1-13-9-16-18(10-14(13)2)25-21(27)20(31-22(25)23-16)12-15-3-4-17(19(11-15)26(28)29)24-5-7-30-8-6-24/h3-4,9-12H,5-8H2,1-2H3

InChI Key

UKIPFYPKRYEHNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01160769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

4.284

Water Solubility, LogSw

-4.45

Polar Surface Area

68.593

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

2038-0182 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 2038-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2038-0182?
Check Price and Availability of 2038-0182, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2038-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2038-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2038-0182
  • 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 2038-0182 available by request