G588-0135 Screening compound: 1-(2,4-dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

G588-0135 Screening compound: 1-(2,4-dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
G588-0135 Screening compound: 1-(2,4-dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G588-0135
1-(2,4-dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

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

G588-0135

Molecular Formula

C16H19N3O3S (C16 H19 N3 O3 S)

Compound Name

1-(2,4-dimethoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

IUPAC name

1-(24-dimethoxyphenyl)-3-(4567-tetrahydro-13-benzothiazol-2-yl)urea

SMILES

COc(cc1)cc(OC)c1NC(Nc1nc(CCCC2)c2s1)=O

InChI

InChI=1S/C16H19N3O3S/c1-21-10-7-8-11(13(9-10)22-2)17-15(20)19-16-18-12-5-3-4-6-14(12)23-16/h7-9H,3-6H2,1-2H3,(H2,17,18,19,20)

InChI Key

UWHDGPNRXXXIGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07035197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-4.23

Polar Surface Area

58.486

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G588-0135 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G588-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G588-0135?
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What is the minimum amount of G588-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G588-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G588-0135
  • 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 G588-0135 available by request