D408-0768 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea

D408-0768 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea
D408-0768 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D408-0768
1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-methanesulfonyl-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

D408-0768

Molecular Formula

C17H16ClN3O5S2 (C17 H16 ClN3 O5 S2)

Compound Name

1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea

IUPAC name

1-(5-chloro-24-dimethoxyphenyl)-3-(6-methanesulfonyl-13-benzothiazol-2-yl)urea

SMILES

COc(c(NC(Nc1nc(ccc(S(C)(=O)=O)c2)c2s1)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C17H16ClN3O5S2/c1-25-13-8-14(26-2)12(7-10(13)18)19-16(22)21-17-20-11-5-4-9(28(3,23)24)6-15(11)27-17/h4-8H,1-3H3,(H2,19,20,21,22)

InChI Key

VCMZTPKWIIZVEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.362

Water Solubility, LogSw

-3.81

Polar Surface Area

86.615

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D408-0768 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D408-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D408-0768?
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What is the minimum amount of D408-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D408-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D408-0768
  • 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 D408-0768 available by request